6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C10H13FN6 — CID 103883732

IUPAC6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ncn(C)n2)c1F
InChIInChI=1S/C10H13FN6/c1-3-7-9(11)10(14-5-13-7)12-4-8-15-6-17(2)16-8/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyBGXBMMMHGUKLHT-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.92
Rot. Bonds4

About 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 103883732) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID103883732
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ncn(C)n2)c1F
InChIInChI=1S/C10H13FN6/c1-3-7-9(11)10(14-5-13-7)12-4-8-15-6-17(2)16-8/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyBGXBMMMHGUKLHT-UHFFFAOYSA-N
XLogP0.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
6-ethyl-5-fluoro-N-[2-(3-methylimidazol-4-yl)ethyl]pyrimidin-4-amine
CID 86789293
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
6-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 103867495
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
N-(6-ethyl-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 113344333
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 113345406
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131900530
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133434370
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
6-chloro-2-ethyl-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883768

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 103883732) is 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ncn(C)n2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is BGXBMMMHGUKLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-3-7-9(11)10(14-5-13-7)12-4-8-15-6-17(2)16-8/h5-6H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 236.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103883732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).