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

C11H17N7 — CID 75482243

IUPAC2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(CN(C)c2ccnc(N(C)C)n2)n[nH]1
InChIInChI=1S/C11H17N7/c1-8-13-9(16-15-8)7-18(4)10-5-6-12-11(14-10)17(2)3/h5-6H,7H2,1-4H3,(H,13,15,16)
InChIKeyNGALOEVXFPCNMA-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.61
Rot. Bonds4

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

2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 75482243) 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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID75482243
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(CN(C)c2ccnc(N(C)C)n2)n[nH]1
InChIInChI=1S/C11H17N7/c1-8-13-9(16-15-8)7-18(4)10-5-6-12-11(14-10)17(2)3/h5-6H,7H2,1-4H3,(H,13,15,16)
InChIKeyNGALOEVXFPCNMA-UHFFFAOYSA-N
XLogP0.61
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 75482243) is 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1nc(CN(C)c2ccnc(N(C)C)n2)n[nH]1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NGALOEVXFPCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-8-13-9(16-15-8)7-18(4)10-5-6-12-11(14-10)17(2)3/h5-6H,7H2,1-4H3,(H,13,15,16).
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 75482243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).