6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

C12H13FN4 — CID 115417200

IUPAC6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CN(C)c2cc(F)ncn2)n1
InChIInChI=1S/C12H13FN4/c1-9-4-3-5-10(16-9)7-17(2)12-6-11(13)14-8-15-12/h3-6,8H,7H2,1-2H3
InChIKeyATARDHJLTGEDEP-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.96
Rot. Bonds3

About 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 115417200) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID115417200
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CN(C)c2cc(F)ncn2)n1
InChIInChI=1S/C12H13FN4/c1-9-4-3-5-10(16-9)7-17(2)12-6-11(13)14-8-15-12/h3-6,8H,7H2,1-2H3
InChIKeyATARDHJLTGEDEP-UHFFFAOYSA-N
XLogP1.96
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
CID 115416604
N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 114926811
2-methyl-6-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114766459
3-(aminomethyl)-5-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 102814188
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 102824317
5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851704
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N-ethyl-6-hydrazinyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80926425
4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80852291
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
5-[(cyclopropylamino)methyl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380594

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 115417200) is 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is Cc1cccc(CN(C)c2cc(F)ncn2)n1.
What is the InChIKey of 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is ATARDHJLTGEDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-9-4-3-5-10(16-9)7-17(2)12-6-11(13)14-8-15-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 115417200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).