5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine

C13H17N5O — CID 112909414

IUPAC5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine
SMILESCc1cc(N2CCCC2)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18-5-3-4-6-18)16-13(14-9)15-11-8-10(2)19-17-11/h7-8H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKeyBPCZTICROZGFKL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds3

About 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine

5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine (PubChem CID 112909414) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine
PubChem CID112909414
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine
SMILESCc1cc(N2CCCC2)nc(Nc2cc(C)on2)n1
InChIInChI=1S/C13H17N5O/c1-9-7-12(18-5-3-4-6-18)16-13(14-9)15-11-8-10(2)19-17-11/h7-8H,3-6H2,1-2H3,(H,14,15,16,17)
InChIKeyBPCZTICROZGFKL-UHFFFAOYSA-N
XLogP2.43
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931774
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112931796
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
5-methyl-N-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112955521

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine (CID 112909414) is 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine is Cc1cc(N2CCCC2)nc(Nc2cc(C)on2)n1.
What is the InChIKey of 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine?
The InChIKey is BPCZTICROZGFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-12(18-5-3-4-6-18)16-13(14-9)15-11-8-10(2)19-17-11/h7-8H,3-6H2,1-2H3,(H,14,15,16,17).
What are the key properties of 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine?
5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine has a molecular weight of 259.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 112909414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).