3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide

C18H27N7O3 — CID 167952236

IUPAC3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(N(C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)oc1C
InChIInChI=1S/C18H27N7O3/c1-11-12(2)28-17(19-11)22-18(27)25-7-6-14(10-25)24(5)9-13-8-15(26)21-16(20-13)23(3)4/h8,14H,6-7,9-10H2,1-5H3,(H,19,22,27)(H,20,21,26)
InChIKeyHKDSMJTZSJLKCR-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.18
Rot. Bonds5

About 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide

3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 167952236) has the molecular formula C18H27N7O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID167952236
Molecular FormulaC18H27N7O3
Molecular Weight389.46 g/mol
Exact Mass389.22
IUPAC Name3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(N(C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)oc1C
InChIInChI=1S/C18H27N7O3/c1-11-12(2)28-17(19-11)22-18(27)25-7-6-14(10-25)24(5)9-13-8-15(26)21-16(20-13)23(3)4/h8,14H,6-7,9-10H2,1-5H3,(H,19,22,27)(H,20,21,26)
InChIKeyHKDSMJTZSJLKCR-UHFFFAOYSA-N
XLogP1.18
TPSA110.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 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) is 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(N(C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)oc1C.
What is the InChIKey of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is HKDSMJTZSJLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O3/c1-11-12(2)28-17(19-11)22-18(27)25-7-6-14(10-25)24(5)9-13-8-15(26)21-16(20-13)23(3)4/h8,14H,6-7,9-10H2,1-5H3,(H,19,22,27)(H,20,21,26).
What are the key properties of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167952236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).