N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

C14H19N9 — CID 30937515

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCCn1cnnc1CN(C)c1ncc(C)c(-c2ncnn2C)n1
InChIInChI=1S/C14H19N9/c1-5-23-9-17-20-11(23)7-21(3)14-15-6-10(2)12(19-14)13-16-8-18-22(13)4/h6,8-9H,5,7H2,1-4H3
InChIKeyVNCBVXQXKUWPOW-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.83
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 30937515) has the molecular formula C14H19N9 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID30937515
Molecular FormulaC14H19N9
Molecular Weight313.37 g/mol
Exact Mass313.18
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCCn1cnnc1CN(C)c1ncc(C)c(-c2ncnn2C)n1
InChIInChI=1S/C14H19N9/c1-5-23-9-17-20-11(23)7-21(3)14-15-6-10(2)12(19-14)13-16-8-18-22(13)4/h6,8-9H,5,7H2,1-4H3
InChIKeyVNCBVXQXKUWPOW-UHFFFAOYSA-N
XLogP0.83
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 30937515) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is CCn1cnnc1CN(C)c1ncc(C)c(-c2ncnn2C)n1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is VNCBVXQXKUWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N9/c1-5-23-9-17-20-11(23)7-21(3)14-15-6-10(2)12(19-14)13-16-8-18-22(13)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 313.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N,5-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 30937515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).