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

C10H17FN4O2 — CID 106248733

IUPAC4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
SMILESCNc1ncc(F)c(NCCC(O)COC)n1
InChIInChI=1S/C10H17FN4O2/c1-12-10-14-5-8(11)9(15-10)13-4-3-7(16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPQOAWGGPRJSUDS-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.47
Rot. Bonds7

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

4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol (PubChem CID 106248733) has the molecular formula C10H17FN4O2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
PubChem CID106248733
Molecular FormulaC10H17FN4O2
Molecular Weight244.27 g/mol
Exact Mass244.13
IUPAC Name4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
SMILESCNc1ncc(F)c(NCCC(O)COC)n1
InChIInChI=1S/C10H17FN4O2/c1-12-10-14-5-8(11)9(15-10)13-4-3-7(16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPQOAWGGPRJSUDS-UHFFFAOYSA-N
XLogP0.47
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-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

4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
5-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138236
4-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106249041
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
5-fluoro-2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
CID 80846653
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828658
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80841199
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248777
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]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol (CID 106248733) is 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol is CNc1ncc(F)c(NCCC(O)COC)n1.
What is the InChIKey of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
The InChIKey is PQOAWGGPRJSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O2/c1-12-10-14-5-8(11)9(15-10)13-4-3-7(16)6-17-2/h5,7,16H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol?
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol has a molecular weight of 244.27 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).