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

C11H17N7 — CID 80830333

IUPAC2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCc2nncn2C)n1
InChIInChI=1S/C11H17N7/c1-3-12-11-14-6-4-9(16-11)13-7-5-10-17-15-8-18(10)2/h4,6,8H,3,5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyYGMUOKZHGAOVFI-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.69
Rot. Bonds6

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

2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80830333) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80830333
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCc2nncn2C)n1
InChIInChI=1S/C11H17N7/c1-3-12-11-14-6-4-9(16-11)13-7-5-10-17-15-8-18(10)2/h4,6,8H,3,5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyYGMUOKZHGAOVFI-UHFFFAOYSA-N
XLogP0.69
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
4-N-ethyl-2-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 50953787
6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63590782
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63330454
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 55203063
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80788132
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 80830333) is 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is CCNc1nccc(NCCc2nncn2C)n1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YGMUOKZHGAOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-3-12-11-14-6-4-9(16-11)13-7-5-10-17-15-8-18(10)2/h4,6,8H,3,5,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80830333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).