N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine

C13H20N6 — CID 131897622

IUPACN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
SMILESCC(C)c1ncc(CN(C)Cc2nncn2C)cn1
InChIInChI=1S/C13H20N6/c1-10(2)13-14-5-11(6-15-13)7-18(3)8-12-17-16-9-19(12)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyPHUAKCUMSCPZJF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.36
Rot. Bonds5

About N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine

N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine (PubChem CID 131897622) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
PubChem CID131897622
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
SMILESCC(C)c1ncc(CN(C)Cc2nncn2C)cn1
InChIInChI=1S/C13H20N6/c1-10(2)13-14-5-11(6-15-13)7-18(3)8-12-17-16-9-19(12)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyPHUAKCUMSCPZJF-UHFFFAOYSA-N
XLogP1.36
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine (CID 131897622) is N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine is CC(C)c1ncc(CN(C)Cc2nncn2C)cn1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
The InChIKey is PHUAKCUMSCPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10(2)13-14-5-11(6-15-13)7-18(3)8-12-17-16-9-19(12)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(2-propan-2-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 131897622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).