5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

C15H25N3O2 — CID 116782620

IUPAC5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(CN)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(7-5-14(2,3)6-8-15)13-17-10-11(9-16)12(19)18-13/h10H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyBQZYMRXVVVTIGQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.06
Rot. Bonds4

About 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116782620) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116782620
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
SMILESCCOC1(c2ncc(CN)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-20-15(7-5-14(2,3)6-8-15)13-17-10-11(9-16)12(19)18-13/h10H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyBQZYMRXVVVTIGQ-UHFFFAOYSA-N
XLogP2.06
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
5-bromo-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559577
2-(1-ethoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563473
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
5-(chloromethyl)-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 114205226
5-(bromomethyl)-2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205556
5-(bromomethyl)-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 114205566
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192
2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116744932

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one (CID 116782620) is 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is CCOC1(c2ncc(CN)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is BQZYMRXVVVTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-20-15(7-5-14(2,3)6-8-15)13-17-10-11(9-16)12(19)18-13/h10H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116782620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).