N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide

C20H24N10O2 — CID 123673430

IUPACN-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide
SMILESCNC(=O)c1c(NC)ncn1CC(=O)Nc1ccnc(-c2cnc(N3CCCC3)nc2)n1
InChIInChI=1S/C20H24N10O2/c1-21-18-16(19(32)22-2)30(12-26-18)11-15(31)27-14-5-6-23-17(28-14)13-9-24-20(25-10-13)29-7-3-4-8-29/h5-6,9-10,12,21H,3-4,7-8,11H2,1-2H3,(H,22,32)(H,23,27,28,31)
InChIKeyZOKZYAOBKDTSLN-UHFFFAOYSA-N
MW436.48 g/mol
LogP0.77
Rot. Bonds7

About N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide

N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide (PubChem CID 123673430) has the molecular formula C20H24N10O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide
PubChem CID123673430
Molecular FormulaC20H24N10O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC NameN-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide
SMILESCNC(=O)c1c(NC)ncn1CC(=O)Nc1ccnc(-c2cnc(N3CCCC3)nc2)n1
InChIInChI=1S/C20H24N10O2/c1-21-18-16(19(32)22-2)30(12-26-18)11-15(31)27-14-5-6-23-17(28-14)13-9-24-20(25-10-13)29-7-3-4-8-29/h5-6,9-10,12,21H,3-4,7-8,11H2,1-2H3,(H,22,32)(H,23,27,28,31)
InChIKeyZOKZYAOBKDTSLN-UHFFFAOYSA-N
XLogP0.77
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide (CID 123673430) is N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide is CNC(=O)c1c(NC)ncn1CC(=O)Nc1ccnc(-c2cnc(N3CCCC3)nc2)n1.
What is the InChIKey of N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide?
The InChIKey is ZOKZYAOBKDTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N10O2/c1-21-18-16(19(32)22-2)30(12-26-18)11-15(31)27-14-5-6-23-17(28-14)13-9-24-20(25-10-13)29-7-3-4-8-29/h5-6,9-10,12,21H,3-4,7-8,11H2,1-2H3,(H,22,32)(H,23,27,28,31).
What are the key properties of N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide?
N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-3-[2-oxo-2-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrimidin-4-yl]amino]ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 123673430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).