3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C13H24N4O — CID 80966847

IUPAC3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NCCCO)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-4-6-14-11-9-12(15-7-5-8-18)17-13(16-11)10(2)3/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyZFQYRWCTYGMAJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.22
Rot. Bonds8

About 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80966847) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80966847
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1cc(NCCCO)nc(C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-4-6-14-11-9-12(15-7-5-8-18)17-13(16-11)10(2)3/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyZFQYRWCTYGMAJE-UHFFFAOYSA-N
XLogP2.22
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593

Frequently Asked Questions

What is the IUPAC name of 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80966847) is 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1cc(NCCCO)nc(C(C)C)n1.
What is the InChIKey of 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is ZFQYRWCTYGMAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-14-11-9-12(15-7-5-8-18)17-13(16-11)10(2)3/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80966847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).