6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H15FN4 — CID 171328184

IUPAC6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESFc1c(NCc2cccnc2)ncnc1C1CCC1
InChIInChI=1S/C14H15FN4/c15-12-13(11-4-1-5-11)18-9-19-14(12)17-8-10-3-2-6-16-7-10/h2-3,6-7,9,11H,1,4-5,8H2,(H,17,18,19)
InChIKeyCXAYNWXOUVPSQM-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.89
Rot. Bonds4

About 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 171328184) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID171328184
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESFc1c(NCc2cccnc2)ncnc1C1CCC1
InChIInChI=1S/C14H15FN4/c15-12-13(11-4-1-5-11)18-9-19-14(12)17-8-10-3-2-6-16-7-10/h2-3,6-7,9,11H,1,4-5,8H2,(H,17,18,19)
InChIKeyCXAYNWXOUVPSQM-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542886
6-N-[(4-fluorophenyl)methyl]-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481399
7-methyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 4574199
N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine
CID 20910304
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 171328184) is 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Fc1c(NCc2cccnc2)ncnc1C1CCC1.
What is the InChIKey of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is CXAYNWXOUVPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-12-13(11-4-1-5-11)18-9-19-14(12)17-8-10-3-2-6-16-7-10/h2-3,6-7,9,11H,1,4-5,8H2,(H,17,18,19).
What are the key properties of 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 258.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 171328184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).