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

C10H15N7 — CID 80854180

IUPAC5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCc1ncn(C)n1
InChIInChI=1S/C10H15N7/c1-7-5-13-10(11)15-9(7)12-4-3-8-14-6-17(2)16-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,15)
InChIKeyILIAORFFEKPYKD-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.15
Rot. Bonds4

About 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine

5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80854180) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80854180
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCc1ncn(C)n1
InChIInChI=1S/C10H15N7/c1-7-5-13-10(11)15-9(7)12-4-3-8-14-6-17(2)16-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,15)
InChIKeyILIAORFFEKPYKD-UHFFFAOYSA-N
XLogP0.15
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80853003
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
3,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037852
2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80854271
4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80771958
5-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazol-2-amine
CID 106577201
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
2-methyl-3-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,3-diamine
CID 80681480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 80854180) is 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1NCCc1ncn(C)n1.
What is the InChIKey of 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ILIAORFFEKPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-7-5-13-10(11)15-9(7)12-4-3-8-14-6-17(2)16-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,15).
What are the key properties of 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80854180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).