2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol

C15H27N5O — CID 64795801

IUPAC2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5O/c1-13(2)18-15(3,12-21)11-19-7-9-20(10-8-19)14-16-5-4-6-17-14/h4-6,13,18,21H,7-12H2,1-3H3
InChIKeyKVKAODYANGVQJZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.35
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol

2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 64795801) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID64795801
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5O/c1-13(2)18-15(3,12-21)11-19-7-9-20(10-8-19)14-16-5-4-6-17-14/h4-6,13,18,21H,7-12H2,1-3H3
InChIKeyKVKAODYANGVQJZ-UHFFFAOYSA-N
XLogP0.35
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792184
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64790084
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792181
2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64788383
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
CID 103069092
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol (CID 64795801) is 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol is CC(C)NC(C)(CO)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is KVKAODYANGVQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-13(2)18-15(3,12-21)11-19-7-9-20(10-8-19)14-16-5-4-6-17-14/h4-6,13,18,21H,7-12H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol?
2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 64795801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).