N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide

C13H23N5O — CID 135129756

IUPACN-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide
SMILESCCCC(C)Nc1nc(C)c(NC(C)=O)c(NC)n1
InChIInChI=1S/C13H23N5O/c1-6-7-8(2)15-13-16-9(3)11(17-10(4)19)12(14-5)18-13/h8H,6-7H2,1-5H3,(H,17,19)(H2,14,15,16,18)
InChIKeyBHZADJCFMHQPHD-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.39
Rot. Bonds6

About N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide

N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide (PubChem CID 135129756) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide
PubChem CID135129756
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide
SMILESCCCC(C)Nc1nc(C)c(NC(C)=O)c(NC)n1
InChIInChI=1S/C13H23N5O/c1-6-7-8(2)15-13-16-9(3)11(17-10(4)19)12(14-5)18-13/h8H,6-7H2,1-5H3,(H,17,19)(H2,14,15,16,18)
InChIKeyBHZADJCFMHQPHD-UHFFFAOYSA-N
XLogP2.39
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide (CID 135129756) is N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide is CCCC(C)Nc1nc(C)c(NC(C)=O)c(NC)n1.
What is the InChIKey of N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide?
The InChIKey is BHZADJCFMHQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-6-7-8(2)15-13-16-9(3)11(17-10(4)19)12(14-5)18-13/h8H,6-7H2,1-5H3,(H,17,19)(H2,14,15,16,18).
What are the key properties of N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide?
N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(methylamino)-2-(pentan-2-ylamino)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 135129756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).