6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

C11H11FN4 — CID 115416985

IUPAC6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccnc1CNc1cc(F)ncn1
InChIInChI=1S/C11H11FN4/c1-8-3-2-4-13-9(8)6-14-11-5-10(12)15-7-16-11/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyBIJPYGOGZVVLAL-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.93
Rot. Bonds3

About 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 115416985) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID115416985
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccnc1CNc1cc(F)ncn1
InChIInChI=1S/C11H11FN4/c1-8-3-2-4-13-9(8)6-14-11-5-10(12)15-7-16-11/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyBIJPYGOGZVVLAL-UHFFFAOYSA-N
XLogP1.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650247
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
4-chloro-5-fluoro-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 66077847
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluoropyrimidin-4-amine
CID 115417159
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650115
N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972962
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 115416985) is 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is Cc1cccnc1CNc1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is BIJPYGOGZVVLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-8-3-2-4-13-9(8)6-14-11-5-10(12)15-7-16-11/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 218.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 115416985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).