4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine

C10H14FN3O — CID 121478453

IUPAC4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)nc(C2CC2)c1F
InChIInChI=1S/C10H14FN3O/c1-14(2)10-12-8(6-4-5-6)7(11)9(13-10)15-3/h6H,4-5H2,1-3H3
InChIKeyGMHDKWCBFDXBKV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.57
Rot. Bonds3

About 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine

4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 121478453) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID121478453
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)nc(C2CC2)c1F
InChIInChI=1S/C10H14FN3O/c1-14(2)10-12-8(6-4-5-6)7(11)9(13-10)15-3/h6H,4-5H2,1-3H3
InChIKeyGMHDKWCBFDXBKV-UHFFFAOYSA-N
XLogP1.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine (CID 121478453) is 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine is COc1nc(N(C)C)nc(C2CC2)c1F.
What is the InChIKey of 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is GMHDKWCBFDXBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-14(2)10-12-8(6-4-5-6)7(11)9(13-10)15-3/h6H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 211.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 121478453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).