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

C12H21FN4O — CID 80848537

IUPAC1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCCCNc1ncc(F)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H21FN4O/c1-5-6-14-11-15-7-9(13)10(16-11)17(4)8-12(2,3)18/h7,18H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyGXVRHMBASCEDOZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.64
Rot. Bonds6

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

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 80848537) has the molecular formula C12H21FN4O and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID80848537
Molecular FormulaC12H21FN4O
Molecular Weight256.32 g/mol
Exact Mass256.17
IUPAC Name1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCCCNc1ncc(F)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H21FN4O/c1-5-6-14-11-15-7-9(13)10(16-11)17(4)8-12(2,3)18/h7,18H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyGXVRHMBASCEDOZ-UHFFFAOYSA-N
XLogP1.64
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
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
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80849094
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (CID 80848537) is 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is CCCNc1ncc(F)c(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is GXVRHMBASCEDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4O/c1-5-6-14-11-15-7-9(13)10(16-11)17(4)8-12(2,3)18/h7,18H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 256.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80848537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).