3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol

C9H16N4O — CID 83180449

IUPAC3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(N)ncnc1NC(C)CCO
InChIInChI=1S/C9H16N4O/c1-6(3-4-14)13-9-7(2)8(10)11-5-12-9/h5-6,14H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyTZXQKZHCLABSLH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.55
Rot. Bonds4

About 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol

3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 83180449) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID83180449
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(N)ncnc1NC(C)CCO
InChIInChI=1S/C9H16N4O/c1-6(3-4-14)13-9-7(2)8(10)11-5-12-9/h5-6,14H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyTZXQKZHCLABSLH-UHFFFAOYSA-N
XLogP0.55
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-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-[(6-amino-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80779997
3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179964
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83187973
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852599
5-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-4,6-diamine
CID 80830817
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 113387588
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 63730458
4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852682

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol (CID 83180449) is 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol is Cc1c(N)ncnc1NC(C)CCO.
What is the InChIKey of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is TZXQKZHCLABSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(3-4-14)13-9-7(2)8(10)11-5-12-9/h5-6,14H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol?
3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 83180449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).