4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol

C16H28N4O — CID 81107966

IUPAC4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1cc(N2CCC(C)(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-8-17-13-11-14(19-15(18-13)12(2)3)20-9-6-16(4,21)7-10-20/h11-12,21H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyCTMJDPJCLGZTQG-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.77
Rot. Bonds5

About 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol

4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 81107966) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
PubChem CID81107966
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
SMILESCCCNc1cc(N2CCC(C)(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-8-17-13-11-14(19-15(18-13)12(2)3)20-9-6-16(4,21)7-10-20/h11-12,21H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyCTMJDPJCLGZTQG-UHFFFAOYSA-N
XLogP2.77
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-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

4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
6-morpholin-4-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80956097
1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957543
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
3-methyl-1-[2-propyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 103358998
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol (CID 81107966) is 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol is CCCNc1cc(N2CCC(C)(O)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is CTMJDPJCLGZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-17-13-11-14(19-15(18-13)12(2)3)20-9-6-16(4,21)7-10-20/h11-12,21H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol?
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 292.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 81107966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).