2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C12H21FN4O — CID 80849132

IUPAC2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCCCNc1ncc(F)c(NC(CO)C(C)C)n1
InChIInChI=1S/C12H21FN4O/c1-4-5-14-12-15-6-9(13)11(17-12)16-10(7-18)8(2)3/h6,8,10,18H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyGLUAROUWYAPBLP-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.87
Rot. Bonds7

About 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 80849132) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID80849132
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCCCNc1ncc(F)c(NC(CO)C(C)C)n1
InChIInChI=1S/C12H21FN4O/c1-4-5-14-12-15-6-9(13)11(17-12)16-10(7-18)8(2)3/h6,8,10,18H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyGLUAROUWYAPBLP-UHFFFAOYSA-N
XLogP1.87
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783494
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 80849132) is 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CCCNc1ncc(F)c(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is GLUAROUWYAPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-4-5-14-12-15-6-9(13)11(17-12)16-10(7-18)8(2)3/h6,8,10,18H,4-5,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 256.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 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]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80849132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).