2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C16H21N7O2 — CID 124977910

IUPAC2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)cn1
InChIInChI=1S/C16H21N7O2/c1-22(2)14-19-8-12(9-20-14)13(24)21-10-16(25)4-7-23(11-16)15-17-5-3-6-18-15/h3,5-6,8-9,25H,4,7,10-11H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyLPZJKQRFIKIBPB-MRXNPFEDSA-N
MW343.39 g/mol
LogP-0.30
Rot. Bonds5

About 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 124977910) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID124977910
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)cn1
InChIInChI=1S/C16H21N7O2/c1-22(2)14-19-8-12(9-20-14)13(24)21-10-16(25)4-7-23(11-16)15-17-5-3-6-18-15/h3,5-6,8-9,25H,4,7,10-11H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyLPZJKQRFIKIBPB-MRXNPFEDSA-N
XLogP-0.30
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 124993029
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988775
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
CID 124996932
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 124941960
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 124989158
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125018501
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 124996794
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125027161
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123987
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 124957412
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124963569
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 125024779

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 124977910) is 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is LPZJKQRFIKIBPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-22(2)14-19-8-12(9-20-14)13(24)21-10-16(25)4-7-23(11-16)15-17-5-3-6-18-15/h3,5-6,8-9,25H,4,7,10-11H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 124977910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).