[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol

C16H21N3O — CID 114789059

IUPAC[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ncc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-12-6-8-16(11-20,9-7-12)19-15-17-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,20H,6-9,11H2,1H3,(H,17,18,19)
InChIKeyIKZFQYYYZTVCMC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds3

About [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol

[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol (PubChem CID 114789059) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol
PubChem CID114789059
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2ncc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-12-6-8-16(11-20,9-7-12)19-15-17-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,20H,6-9,11H2,1H3,(H,17,18,19)
InChIKeyIKZFQYYYZTVCMC-UHFFFAOYSA-N
XLogP2.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol (CID 114789059) is [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol is CC1CCC(CO)(Nc2ncc3ccccc3n2)CC1.
What is the InChIKey of [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol?
The InChIKey is IKZFQYYYZTVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-8-16(11-20,9-7-12)19-15-17-10-13-4-2-3-5-14(13)18-15/h2-5,10,12,20H,6-9,11H2,1H3,(H,17,18,19).
What are the key properties of [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol?
[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 114789059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).