(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H21N7O2 — CID 95206109

IUPAC(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCNc1ncc(CN(C)C(=O)C2=C(C)NC(=O)N[C@H]2c2cccnc2)cn1
InChIInChI=1S/C18H21N7O2/c1-11-14(15(24-18(27)23-11)13-5-4-6-20-9-13)16(26)25(3)10-12-7-21-17(19-2)22-8-12/h4-9,15H,10H2,1-3H3,(H,19,21,22)(H2,23,24,27)/t15-/m0/s1
InChIKeyZXEHKHONFDWLKQ-HNNXBMFYSA-N
MW367.41 g/mol
LogP1.20
Rot. Bonds5

About (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95206109) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95206109
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCNc1ncc(CN(C)C(=O)C2=C(C)NC(=O)N[C@H]2c2cccnc2)cn1
InChIInChI=1S/C18H21N7O2/c1-11-14(15(24-18(27)23-11)13-5-4-6-20-9-13)16(26)25(3)10-12-7-21-17(19-2)22-8-12/h4-9,15H,10H2,1-3H3,(H,19,21,22)(H2,23,24,27)/t15-/m0/s1
InChIKeyZXEHKHONFDWLKQ-HNNXBMFYSA-N
XLogP1.20
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95197710
6-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56702277
1-(6-methyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)ethanone
CID 45066470
(4S)-6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212969
6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56709508
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56884860
4-(3-hydroxyphenyl)-6-methyl-2-oxo-N-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23960769
(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 7235878
CID 87171293
CID 87171293
(4S)-4-(4-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1088981
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95209591

Frequently Asked Questions

What is the IUPAC name of (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95206109) is (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CNc1ncc(CN(C)C(=O)C2=C(C)NC(=O)N[C@H]2c2cccnc2)cn1.
What is the InChIKey of (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is ZXEHKHONFDWLKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11-14(15(24-18(27)23-11)13-5-4-6-20-9-13)16(26)25(3)10-12-7-21-17(19-2)22-8-12/h4-9,15H,10H2,1-3H3,(H,19,21,22)(H2,23,24,27)/t15-/m0/s1.
What are the key properties of (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,6-dimethyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95206109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).