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

C10H17FN4O — CID 106138236

IUPAC5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCNc1ncc(F)c(NCCCC(C)O)n1
InChIInChI=1S/C10H17FN4O/c1-7(16)4-3-5-13-9-8(11)6-14-10(12-2)15-9/h6-7,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyUANVUOSEDQBFQX-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.23
Rot. Bonds6

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

5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 106138236) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID106138236
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCNc1ncc(F)c(NCCCC(C)O)n1
InChIInChI=1S/C10H17FN4O/c1-7(16)4-3-5-13-9-8(11)6-14-10(12-2)15-9/h6-7,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyUANVUOSEDQBFQX-UHFFFAOYSA-N
XLogP1.23
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733
5-fluoro-2-N-methyl-4-N-(6-methylsulfanylhexyl)pyrimidine-2,4-diamine
CID 114126675
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 114133535
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80819052
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80847388
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388

Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 106138236) is 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol is CNc1ncc(F)c(NCCCC(C)O)n1.
What is the InChIKey of 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is UANVUOSEDQBFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-7(16)4-3-5-13-9-8(11)6-14-10(12-2)15-9/h6-7,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol?
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 106138236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).