N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine

C13H22N4O — CID 106128479

IUPACN-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCC2CCCC(N)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-18-13-7-12(16-9-17-13)15-8-10-4-3-5-11(14)6-10/h7,9-11H,2-6,8,14H2,1H3,(H,15,16,17)
InChIKeyNBOXSXFWOVOMTF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds5

About N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine

N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine (PubChem CID 106128479) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
PubChem CID106128479
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCC2CCCC(N)C2)ncn1
InChIInChI=1S/C13H22N4O/c1-2-18-13-7-12(16-9-17-13)15-8-10-4-3-5-11(14)6-10/h7,9-11H,2-6,8,14H2,1H3,(H,15,16,17)
InChIKeyNBOXSXFWOVOMTF-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526419
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine (CID 106128479) is N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NCC2CCCC(N)C2)ncn1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is NBOXSXFWOVOMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-18-13-7-12(16-9-17-13)15-8-10-4-3-5-11(14)6-10/h7,9-11H,2-6,8,14H2,1H3,(H,15,16,17).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine?
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 106128479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).