2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol

C11H19FN4O — CID 104557000

IUPAC2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCCNc1ncc(F)c(N(C)C(C)CO)n1
InChIInChI=1S/C11H19FN4O/c1-4-5-13-11-14-6-9(12)10(15-11)16(3)8(2)7-17/h6,8,17H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWSHGARYSIDZOSO-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.25
Rot. Bonds6

About 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol (PubChem CID 104557000) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
PubChem CID104557000
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCCNc1ncc(F)c(N(C)C(C)CO)n1
InChIInChI=1S/C11H19FN4O/c1-4-5-13-11-14-6-9(12)10(15-11)16(3)8(2)7-17/h6,8,17H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyWSHGARYSIDZOSO-UHFFFAOYSA-N
XLogP1.25
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol with MolForge

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Related Compounds

5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]butanenitrile
CID 80828951
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol (CID 104557000) is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol is CCCNc1ncc(F)c(N(C)C(C)CO)n1.
What is the InChIKey of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is WSHGARYSIDZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-4-5-13-11-14-6-9(12)10(15-11)16(3)8(2)7-17/h6,8,17H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 242.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 104557000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).