1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

C12H22N4O — CID 113493071

IUPAC1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1ncc(C)c(NCC(O)CC)n1
InChIInChI=1S/C12H22N4O/c1-4-6-13-12-15-7-9(3)11(16-12)14-8-10(17)5-2/h7,10,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyFIHMXLXOSQJJCX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds7

About 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 113493071) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID113493071
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1ncc(C)c(NCC(O)CC)n1
InChIInChI=1S/C12H22N4O/c1-4-6-13-12-15-7-9(3)11(16-12)14-8-10(17)5-2/h7,10,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyFIHMXLXOSQJJCX-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-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-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80839556
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80792116
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
5-methyl-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848762
3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106289054
2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 107868640
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol (CID 113493071) is 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol is CCCNc1ncc(C)c(NCC(O)CC)n1.
What is the InChIKey of 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is FIHMXLXOSQJJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-13-12-15-7-9(3)11(16-12)14-8-10(17)5-2/h7,10,17H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 113493071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).