(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

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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).