2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide

C13H21N5O — CID 79121088

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide
SMILESCN(CC(=O)Nc1ncccn1)C1CCC(N)CC1
InChIInChI=1S/C13H21N5O/c1-18(11-5-3-10(14)4-6-11)9-12(19)17-13-15-7-2-8-16-13/h2,7-8,10-11H,3-6,9,14H2,1H3,(H,15,16,17,19)
InChIKeyLKUYDSPRNHFUNZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.62
Rot. Bonds4

About 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide

2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide (PubChem CID 79121088) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide
PubChem CID79121088
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide
SMILESCN(CC(=O)Nc1ncccn1)C1CCC(N)CC1
InChIInChI=1S/C13H21N5O/c1-18(11-5-3-10(14)4-6-11)9-12(19)17-13-15-7-2-8-16-13/h2,7-8,10-11H,3-6,9,14H2,1H3,(H,15,16,17,19)
InChIKeyLKUYDSPRNHFUNZ-UHFFFAOYSA-N
XLogP0.62
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide (CID 79121088) is 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide is CN(CC(=O)Nc1ncccn1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide?
The InChIKey is LKUYDSPRNHFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-18(11-5-3-10(14)4-6-11)9-12(19)17-13-15-7-2-8-16-13/h2,7-8,10-11H,3-6,9,14H2,1H3,(H,15,16,17,19).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide?
2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 79121088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).