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

C8H13FN4O — CID 80779218

IUPAC1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1ncc(F)c(NCC(C)O)n1
InChIInChI=1S/C8H13FN4O/c1-5(14)3-11-7-6(9)4-12-8(10-2)13-7/h4-5,14H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyGXMQAOODERKRAI-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.45
Rot. Bonds4

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

1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80779218) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80779218
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1ncc(F)c(NCC(C)O)n1
InChIInChI=1S/C8H13FN4O/c1-5(14)3-11-7-6(9)4-12-8(10-2)13-7/h4-5,14H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyGXMQAOODERKRAI-UHFFFAOYSA-N
XLogP0.45
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150361
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 114133535
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80779218) is 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1ncc(F)c(NCC(C)O)n1.
What is the InChIKey of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is GXMQAOODERKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-5(14)3-11-7-6(9)4-12-8(10-2)13-7/h4-5,14H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 200.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80779218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).