3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C10H17FN4O — CID 80771875

IUPAC3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncc(F)c(NCCCO)n1
InChIInChI=1S/C10H17FN4O/c1-2-4-13-10-14-7-8(11)9(15-10)12-5-3-6-16/h7,16H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyIZKGDZKYFPNHAQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.23
Rot. Bonds7

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

3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80771875) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80771875
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncc(F)c(NCCCO)n1
InChIInChI=1S/C10H17FN4O/c1-2-4-13-10-14-7-8(11)9(15-10)12-5-3-6-16/h7,16H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyIZKGDZKYFPNHAQ-UHFFFAOYSA-N
XLogP1.23
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80771875) is 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1ncc(F)c(NCCCO)n1.
What is the InChIKey of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is IZKGDZKYFPNHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-2-4-13-10-14-7-8(11)9(15-10)12-5-3-6-16/h7,16H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 228.27 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80771875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).