5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine

C9H15FN4O — CID 115733009

IUPAC5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNCCCF
InChIInChI=1S/C9H15FN4O/c1-15-9-7(5-12-4-2-3-10)8(11)13-6-14-9/h6,12H,2-5H2,1H3,(H2,11,13,14)
InChIKeyGEBGPQWFBZCQBM-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.52
Rot. Bonds6

About 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine

5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 115733009) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine
PubChem CID115733009
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1ncnc(N)c1CNCCCF
InChIInChI=1S/C9H15FN4O/c1-15-9-7(5-12-4-2-3-10)8(11)13-6-14-9/h6,12H,2-5H2,1H3,(H2,11,13,14)
InChIKeyGEBGPQWFBZCQBM-UHFFFAOYSA-N
XLogP0.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
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-butyl-5-iodo-6-methoxypyrimidine-2,4-diamine
CID 135271025
6-Methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine
CID 75387565
1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
CID 43552092
6-methoxy-5-[[2-[(2R)-oxolan-2-yl]ethylamino]methyl]pyrimidin-4-amine
CID 95788206
6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
6-but-2-ynoxy-5-fluoro-N-pentan-3-ylpyrimidin-4-amine
CID 22599790
6-methoxy-5-(trifluoromethyl)-4-Pyrimidinamine
CID 66607644
4-Fluoro-6-methoxy-5-methylpyrimidine
CID 66615535
N-ethyl-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165142
4-Methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
CID 168893738
4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 175996838
4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 175996840

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine (CID 115733009) is 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine is COc1ncnc(N)c1CNCCCF.
What is the InChIKey of 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is GEBGPQWFBZCQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-15-9-7(5-12-4-2-3-10)8(11)13-6-14-9/h6,12H,2-5H2,1H3,(H2,11,13,14).
What are the key properties of 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine?
5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 214.24 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoropropylamino)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 115733009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).