N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C16H19N7 — CID 50952376

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCn1cnnc1CCNc1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C16H19N7/c1-3-23-11-19-22-15(23)6-8-18-14-9-12(2)20-16(21-14)13-5-4-7-17-10-13/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,18,20,21)
InChIKeyISGPNBPJHMOKFS-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 50952376) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID50952376
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCn1cnnc1CCNc1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C16H19N7/c1-3-23-11-19-22-15(23)6-8-18-14-9-12(2)20-16(21-14)13-5-4-7-17-10-13/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,18,20,21)
InChIKeyISGPNBPJHMOKFS-UHFFFAOYSA-N
XLogP2.11
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50970220
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50982961
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133279755
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091
N-ethyl-2-(3-ethylimidazol-4-yl)-6-methylpyrimidin-4-amine
CID 66135687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 50952376) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is CCn1cnnc1CCNc1cc(C)nc(-c2cccnc2)n1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is ISGPNBPJHMOKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-3-23-11-19-22-15(23)6-8-18-14-9-12(2)20-16(21-14)13-5-4-7-17-10-13/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 50952376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).