4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

C13H21N7 — CID 106304559

IUPAC4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCc2nncn2CC)n1
InChIInChI=1S/C13H21N7/c1-4-6-14-13-17-10(3)7-11(18-13)15-8-12-19-16-9-20(12)5-2/h7,9H,4-6,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyVTVWDISDSWYCTF-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.83
Rot. Bonds7

About 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 106304559) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID106304559
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCc2nncn2CC)n1
InChIInChI=1S/C13H21N7/c1-4-6-14-13-17-10(3)7-11(18-13)15-8-12-19-16-9-20(12)5-2/h7,9H,4-6,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyVTVWDISDSWYCTF-UHFFFAOYSA-N
XLogP1.83
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
6-bromo-2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114170989
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 106304598
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106304580
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 106302029
6-methyl-2-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106433956
4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818999
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 106304559) is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCc2nncn2CC)n1.
What is the InChIKey of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VTVWDISDSWYCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-4-6-14-13-17-10(3)7-11(18-13)15-8-12-19-16-9-20(12)5-2/h7,9H,4-6,8H2,1-3H3,(H2,14,15,17,18).
What are the key properties of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 106304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).