[4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol

C19H27N5O2 — CID 70215626

IUPAC[4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol
SMILESCC(C)Nc1cc(N2C(C)COCC2CO)nc(-c2ccc(N)cc2)n1
InChIInChI=1S/C19H27N5O2/c1-12(2)21-17-8-18(24-13(3)10-26-11-16(24)9-25)23-19(22-17)14-4-6-15(20)7-5-14/h4-8,12-13,16,25H,9-11,20H2,1-3H3,(H,21,22,23)
InChIKeyHKHPBNDIPZQWDY-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.13
Rot. Bonds5

About [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol

[4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol (PubChem CID 70215626) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol
PubChem CID70215626
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol
SMILESCC(C)Nc1cc(N2C(C)COCC2CO)nc(-c2ccc(N)cc2)n1
InChIInChI=1S/C19H27N5O2/c1-12(2)21-17-8-18(24-13(3)10-26-11-16(24)9-25)23-19(22-17)14-4-6-15(20)7-5-14/h4-8,12-13,16,25H,9-11,20H2,1-3H3,(H,21,22,23)
InChIKeyHKHPBNDIPZQWDY-UHFFFAOYSA-N
XLogP2.13
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol?
The IUPAC name of [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol (CID 70215626) is [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol?
The canonical SMILES for [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol is CC(C)Nc1cc(N2C(C)COCC2CO)nc(-c2ccc(N)cc2)n1.
What is the InChIKey of [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol?
The InChIKey is HKHPBNDIPZQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)21-17-8-18(24-13(3)10-26-11-16(24)9-25)23-19(22-17)14-4-6-15(20)7-5-14/h4-8,12-13,16,25H,9-11,20H2,1-3H3,(H,21,22,23).
What are the key properties of [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol?
[4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol has a molecular weight of 357.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-aminophenyl)-6-(propan-2-ylamino)pyrimidin-4-yl]-5-methylmorpholin-3-yl]methanol is sourced from PubChem (CID 70215626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).