[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol

C14H22N4O — CID 116640662

IUPAC[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESNc1cc(N2CCCCCC2CO)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c15-12-8-13(17-14(16-12)10-5-6-10)18-7-3-1-2-4-11(18)9-19/h8,10-11,19H,1-7,9H2,(H2,15,16,17)
InChIKeyNCQYOZSPMWALSW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.68
Rot. Bonds3

About [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol

[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol (PubChem CID 116640662) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
PubChem CID116640662
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESNc1cc(N2CCCCCC2CO)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c15-12-8-13(17-14(16-12)10-5-6-10)18-7-3-1-2-4-11(18)9-19/h8,10-11,19H,1-7,9H2,(H2,15,16,17)
InChIKeyNCQYOZSPMWALSW-UHFFFAOYSA-N
XLogP1.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80968033
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
[1-(6-aminopyrazin-2-yl)piperidin-2-yl]methanol
CID 80648142
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80956973

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol (CID 116640662) is [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol is Nc1cc(N2CCCCCC2CO)nc(C2CC2)n1.
What is the InChIKey of [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol?
The InChIKey is NCQYOZSPMWALSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-8-13(17-14(16-12)10-5-6-10)18-7-3-1-2-4-11(18)9-19/h8,10-11,19H,1-7,9H2,(H2,15,16,17).
What are the key properties of [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol?
[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol has a molecular weight of 262.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116640662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).