N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide

C13H22N6O — CID 102737062

IUPACN-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
SMILESCNc1cc(N2CCC(CNC(C)=O)CC2)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-9(20)16-8-10-3-5-19(6-4-10)12-7-11(15-2)17-13(14)18-12/h7,10H,3-6,8H2,1-2H3,(H,16,20)(H3,14,15,17,18)
InChIKeyIHVNVOAKUIIRPV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.45
Rot. Bonds4

About N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 102737062) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
PubChem CID102737062
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
SMILESCNc1cc(N2CCC(CNC(C)=O)CC2)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-9(20)16-8-10-3-5-19(6-4-10)12-7-11(15-2)17-13(14)18-12/h7,10H,3-6,8H2,1-2H3,(H,16,20)(H3,14,15,17,18)
InChIKeyIHVNVOAKUIIRPV-UHFFFAOYSA-N
XLogP0.45
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
N-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 113402704
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide
CID 131925793
4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
CID 80765741
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide (CID 102737062) is N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide is CNc1cc(N2CCC(CNC(C)=O)CC2)nc(N)n1.
What is the InChIKey of N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is IHVNVOAKUIIRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-9(20)16-8-10-3-5-19(6-4-10)12-7-11(15-2)17-13(14)18-12/h7,10H,3-6,8H2,1-2H3,(H,16,20)(H3,14,15,17,18).
What are the key properties of N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).