1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

C13H22N4O — CID 80842262

IUPAC1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ccnc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-2-10-3-6-13(18,7-4-10)9-16-11-5-8-15-12(14)17-11/h5,8,10,18H,2-4,6-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyUCKZCHBOKBZNRO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds4

About 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 80842262) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID80842262
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ccnc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-2-10-3-6-13(18,7-4-10)9-16-11-5-8-15-12(14)17-11/h5,8,10,18H,2-4,6-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyUCKZCHBOKBZNRO-UHFFFAOYSA-N
XLogP1.80
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 80842262) is 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2ccnc(N)n2)CC1.
What is the InChIKey of 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is UCKZCHBOKBZNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-10-3-6-13(18,7-4-10)9-16-11-5-8-15-12(14)17-11/h5,8,10,18H,2-4,6-7,9H2,1H3,(H3,14,15,16,17).
What are the key properties of 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-aminopyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 80842262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).