N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide

C15H25N5O — CID 56710970

IUPACN-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(c2cc(CN)nc(C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-11-18-14(10-16)9-15(19-11)20-7-4-13(5-8-20)3-6-17-12(2)21/h9,13H,3-8,10,16H2,1-2H3,(H,17,21)
InChIKeyPWOLMAICGCLANR-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.99
Rot. Bonds5

About N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide

N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide (PubChem CID 56710970) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
PubChem CID56710970
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(c2cc(CN)nc(C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-11-18-14(10-16)9-15(19-11)20-7-4-13(5-8-20)3-6-17-12(2)21/h9,13H,3-8,10,16H2,1-2H3,(H,17,21)
InChIKeyPWOLMAICGCLANR-UHFFFAOYSA-N
XLogP0.99
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511
2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136738
(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
CID 95208997
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122293845
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide (CID 56710970) is N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide is CC(=O)NCCC1CCN(c2cc(CN)nc(C)n2)CC1.
What is the InChIKey of N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is PWOLMAICGCLANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-18-14(10-16)9-15(19-11)20-7-4-13(5-8-20)3-6-17-12(2)21/h9,13H,3-8,10,16H2,1-2H3,(H,17,21).
What are the key properties of N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide?
N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 56710970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).