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

C14H17FN4O — CID 80828721

IUPAC2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
SMILESCNc1ncc(F)c(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C14H17FN4O/c1-16-14-17-8-12(15)13(19-14)18-11(9-20)7-10-5-3-2-4-6-10/h2-6,8,11,20H,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyOQAOYWOVQZFGQA-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.67
Rot. Bonds6

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

2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol (PubChem CID 80828721) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
PubChem CID80828721
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
SMILESCNc1ncc(F)c(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C14H17FN4O/c1-16-14-17-8-12(15)13(19-14)18-11(9-20)7-10-5-3-2-4-6-10/h2-6,8,11,20H,7,9H2,1H3,(H2,16,17,18,19)
InChIKeyOQAOYWOVQZFGQA-UHFFFAOYSA-N
XLogP1.67
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-fluoro-2-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807251
(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95325911
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 140546721
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80907050

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol (CID 80828721) is 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol is CNc1ncc(F)c(NC(CO)Cc2ccccc2)n1.
What is the InChIKey of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The InChIKey is OQAOYWOVQZFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-16-14-17-8-12(15)13(19-14)18-11(9-20)7-10-5-3-2-4-6-10/h2-6,8,11,20H,7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol has a molecular weight of 276.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 80828721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).