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

C10H15N7 — CID 64829107

IUPAC2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCc2ncn[nH]2)n1
InChIInChI=1S/C10H15N7/c1-17(2)10-12-6-3-8(15-10)11-5-4-9-13-7-14-16-9/h3,6-7H,4-5H2,1-2H3,(H,11,12,15)(H,13,14,16)
InChIKeyWIIIFHARJWHJLP-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.32
Rot. Bonds5

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

2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 64829107) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID64829107
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCc2ncn[nH]2)n1
InChIInChI=1S/C10H15N7/c1-17(2)10-12-6-3-8(15-10)11-5-4-9-13-7-14-16-9/h3,6-7H,4-5H2,1-2H3,(H,11,12,15)(H,13,14,16)
InChIKeyWIIIFHARJWHJLP-UHFFFAOYSA-N
XLogP0.32
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114156731
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64530665
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
CID 64548244
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazin-3-amine
CID 64532057
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 64530676
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 61360611
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829141
6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 64532455

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 64829107) is 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine is CN(C)c1nccc(NCCc2ncn[nH]2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is WIIIFHARJWHJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-17(2)10-12-6-3-8(15-10)11-5-4-9-13-7-14-16-9/h3,6-7H,4-5H2,1-2H3,(H,11,12,15)(H,13,14,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 233.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 64829107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).