(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide

C19H30N6O2 — CID 137179509

IUPAC(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide
SMILESCN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NCC2(C3CC3)CCC2)C1
InChIInChI=1S/C19H30N6O2/c1-24(10-14-9-16(26)23-17(20)22-14)15-5-8-25(11-15)18(27)21-12-19(6-2-7-19)13-3-4-13/h9,13,15H,2-8,10-12H2,1H3,(H,21,27)(H3,20,22,23,26)/t15-/m1/s1
InChIKeyALZZLXPDWXQLKB-OAHLLOKOSA-N
MW374.49 g/mol
LogP1.15
Rot. Bonds6

About (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide

(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 137179509) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide
PubChem CID137179509
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide
SMILESCN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NCC2(C3CC3)CCC2)C1
InChIInChI=1S/C19H30N6O2/c1-24(10-14-9-16(26)23-17(20)22-14)15-5-8-25(11-15)18(27)21-12-19(6-2-7-19)13-3-4-13/h9,13,15H,2-8,10-12H2,1H3,(H,21,27)(H3,20,22,23,26)/t15-/m1/s1
InChIKeyALZZLXPDWXQLKB-OAHLLOKOSA-N
XLogP1.15
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[[[(3R)-1-(2-cyclohexyloxyacetyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137179542
N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 128999875
2-amino-4-[[methyl-[(3R)-1-(5-propan-2-ylthiophene-2-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137242343
2-amino-4-[[methyl-[1-(5-propan-2-ylthiophene-2-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137216366
2-amino-4-[[methyl-[(3S)-1-[3-(5-methylfuran-2-yl)propanoyl]pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137242317
2-amino-4-[[[1-(3-ethylsulfanylpyrazine-2-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 139011211
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 167960708
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(furan-3-ylmethyl)pyrrolidine-1-carboxamide
CID 137218322
2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 136817925
N-[1-[3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 146145939
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
CID 167952236
2-(dimethylamino)-4-[[methyl-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137218267

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide (CID 137179509) is (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide is CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NCC2(C3CC3)CCC2)C1.
What is the InChIKey of (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ALZZLXPDWXQLKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-24(10-14-9-16(26)23-17(20)22-14)15-5-8-25(11-15)18(27)21-12-19(6-2-7-19)13-3-4-13/h9,13,15H,2-8,10-12H2,1H3,(H,21,27)(H3,20,22,23,26)/t15-/m1/s1.
What are the key properties of (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 137179509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).