4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

C11H19FN4O — CID 114150361

IUPAC4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCNc1ncc(F)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C11H19FN4O/c1-11(2,4-5-17)7-15-9-8(12)6-14-10(13-3)16-9/h6,17H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyRQDKTXWNOAKPLW-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.48
Rot. Bonds6

About 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 114150361) has the molecular formula C11H19FN4O and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID114150361
Molecular FormulaC11H19FN4O
Molecular Weight242.30 g/mol
Exact Mass242.15
IUPAC Name4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCNc1ncc(F)c(NCC(C)(C)CCO)n1
InChIInChI=1S/C11H19FN4O/c1-11(2,4-5-17)7-15-9-8(12)6-14-10(13-3)16-9/h6,17H,4-5,7H2,1-3H3,(H2,13,14,15,16)
InChIKeyRQDKTXWNOAKPLW-UHFFFAOYSA-N
XLogP1.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-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

1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150365
3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198584
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (CID 114150361) is 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is CNc1ncc(F)c(NCC(C)(C)CCO)n1.
What is the InChIKey of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is RQDKTXWNOAKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4O/c1-11(2,4-5-17)7-15-9-8(12)6-14-10(13-3)16-9/h6,17H,4-5,7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 242.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 114150361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).