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

C11H17N7 — CID 75423485

IUPAC2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)Cc2ncnn2C)n1
InChIInChI=1S/C11H17N7/c1-16(2)11-12-6-5-9(15-11)17(3)7-10-13-8-14-18(10)4/h5-6,8H,7H2,1-4H3
InChIKeySXNQQMBBPLHHIS-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.31
Rot. Bonds4

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

2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 75423485) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID75423485
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)Cc2ncnn2C)n1
InChIInChI=1S/C11H17N7/c1-16(2)11-12-6-5-9(15-11)17(3)7-10-13-8-14-18(10)4/h5-6,8H,7H2,1-4H3
InChIKeySXNQQMBBPLHHIS-UHFFFAOYSA-N
XLogP0.31
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 75423485) is 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is CN(C)c1nccc(N(C)Cc2ncnn2C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SXNQQMBBPLHHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-16(2)11-12-6-5-9(15-11)17(3)7-10-13-8-14-18(10)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 75423485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).