4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one

C13H22N4O — CID 137222496

IUPAC4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CCNC2CCCCCC2)n1
InChIInChI=1S/C13H22N4O/c14-11-9-13(18)17-12(16-11)7-8-15-10-5-3-1-2-4-6-10/h9-10,15H,1-8H2,(H3,14,16,17,18)
InChIKeyONXBVLLVPRFWLV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.21
Rot. Bonds4

About 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one

4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 137222496) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID137222496
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(CCNC2CCCCCC2)n1
InChIInChI=1S/C13H22N4O/c14-11-9-13(18)17-12(16-11)7-8-15-10-5-3-1-2-4-6-10/h9-10,15H,1-8H2,(H3,14,16,17,18)
InChIKeyONXBVLLVPRFWLV-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[2-[[(1R)-1-cyclobutylethyl]amino]ethyl]-1H-pyrimidin-6-one
CID 137225383
4-amino-2-[2-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]ethyl]-1H-pyrimidin-6-one
CID 137021898
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(oxan-2-ylmethoxy)acetamide
CID 137021866
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
(4R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 137108620
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 135876442
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861496

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one (CID 137222496) is 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(CCNC2CCCCCC2)n1.
What is the InChIKey of 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is ONXBVLLVPRFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-11-9-13(18)17-12(16-11)7-8-15-10-5-3-1-2-4-6-10/h9-10,15H,1-8H2,(H3,14,16,17,18).
What are the key properties of 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one?
4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(cycloheptylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137222496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).