3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

C12H20FN3O — CID 114045771

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCCc1ncnc(N(CCCO)C(C)C)c1F
InChIInChI=1S/C12H20FN3O/c1-4-10-11(13)12(15-8-14-10)16(9(2)3)6-5-7-17/h8-9,17H,4-7H2,1-3H3
InChIKeyLQNWFVFKDPHNFT-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.78
Rot. Bonds6

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 114045771) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
PubChem CID114045771
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCCc1ncnc(N(CCCO)C(C)C)c1F
InChIInChI=1S/C12H20FN3O/c1-4-10-11(13)12(15-8-14-10)16(9(2)3)6-5-7-17/h8-9,17H,4-7H2,1-3H3
InChIKeyLQNWFVFKDPHNFT-UHFFFAOYSA-N
XLogP1.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-ethyl-5-fluoropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114045772
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
3-[(6-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811427
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80788107
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
N'-(6-ethyl-5-fluoropyrimidin-4-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114045824
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]butanethioamide
CID 114045573
propan-2-yl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]propanoate
CID 133420419
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (CID 114045771) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is CCc1ncnc(N(CCCO)C(C)C)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is LQNWFVFKDPHNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-10-11(13)12(15-8-14-10)16(9(2)3)6-5-7-17/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 114045771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).