1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol

C11H18N4O — CID 107409005

IUPAC1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nccc(N)n2)CC1
InChIInChI=1S/C11H18N4O/c1-11(16)4-2-7-15(8-5-11)10-13-6-3-9(12)14-10/h3,6,16H,2,4-5,7-8H2,1H3,(H2,12,13,14)
InChIKeyIRRIRJXHSCEYKY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.80
Rot. Bonds1

About 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol

1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol (PubChem CID 107409005) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
PubChem CID107409005
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nccc(N)n2)CC1
InChIInChI=1S/C11H18N4O/c1-11(16)4-2-7-15(8-5-11)10-13-6-3-9(12)14-10/h3,6,16H,2,4-5,7-8H2,1H3,(H2,12,13,14)
InChIKeyIRRIRJXHSCEYKY-UHFFFAOYSA-N
XLogP0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550418
1-(6-amino-2-pyridinyl)-4-methylazepan-4-ol
CID 107408996
(4R)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 129271149
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
CID 90176650
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97156516
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
(3R,4R)-1-(4-aminopyrimidin-2-yl)-4-cyclobutyl-3-methylpiperidin-4-ol
CID 72925819
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol (CID 107409005) is 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2nccc(N)n2)CC1.
What is the InChIKey of 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol?
The InChIKey is IRRIRJXHSCEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(16)4-2-7-15(8-5-11)10-13-6-3-9(12)14-10/h3,6,16H,2,4-5,7-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol?
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol has a molecular weight of 222.29 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107409005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).