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

C13H21N5O — CID 102737091

IUPACN-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(N)nc(C)n2)CC1
InChIInChI=1S/C13H21N5O/c1-9-16-12(14)7-13(17-9)18-5-3-11(4-6-18)8-15-10(2)19/h7,11H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyFWUVQKQKAVCFCD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.72
Rot. Bonds3

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

N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 102737091) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID102737091
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(N)nc(C)n2)CC1
InChIInChI=1S/C13H21N5O/c1-9-16-12(14)7-13(17-9)18-5-3-11(4-6-18)8-15-10(2)19/h7,11H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17)
InChIKeyFWUVQKQKAVCFCD-UHFFFAOYSA-N
XLogP0.72
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
CID 56710970
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
N-[[1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737052
2-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798590
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
CID 102735929

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 102737091) is N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(N)nc(C)n2)CC1.
What is the InChIKey of N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is FWUVQKQKAVCFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-16-12(14)7-13(17-9)18-5-3-11(4-6-18)8-15-10(2)19/h7,11H,3-6,8H2,1-2H3,(H,15,19)(H2,14,16,17).
What are the key properties of N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).