2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C18H16F3N5 — CID 112873466

IUPAC2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc(NCc2cccnc2)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H16F3N5/c1-12-24-16(23-11-13-5-4-8-22-10-13)9-17(25-12)26-15-7-3-2-6-14(15)18(19,20)21/h2-10H,11H2,1H3,(H2,23,24,25,26)
InChIKeyPMPRMQGMTYQAMH-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.55
Rot. Bonds5

About 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112873466) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112873466
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc(NCc2cccnc2)cc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H16F3N5/c1-12-24-16(23-11-13-5-4-8-22-10-13)9-17(25-12)26-15-7-3-2-6-14(15)18(19,20)21/h2-10H,11H2,1H3,(H2,23,24,25,26)
InChIKeyPMPRMQGMTYQAMH-UHFFFAOYSA-N
XLogP4.55
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
2-methyl-4-N-(4-piperidin-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873481
6-N-(3-fluorophenyl)-2-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878677
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112873466) is 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Cc1nc(NCc2cccnc2)cc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is PMPRMQGMTYQAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c1-12-24-16(23-11-13-5-4-8-22-10-13)9-17(25-12)26-15-7-3-2-6-14(15)18(19,20)21/h2-10H,11H2,1H3,(H2,23,24,25,26).
What are the key properties of 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 359.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112873466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).