2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C15H24N6O — CID 75431432

IUPAC2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2ncnn2C)nc(C(C)(C)C)n1
InChIInChI=1S/C15H24N6O/c1-15(2,3)14-18-11(9-22-6)7-12(19-14)20(4)8-13-16-10-17-21(13)5/h7,10H,8-9H2,1-6H3
InChIKeyQMFNDWNYLGZNJY-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.69
Rot. Bonds5

About 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 75431432) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID75431432
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2ncnn2C)nc(C(C)(C)C)n1
InChIInChI=1S/C15H24N6O/c1-15(2,3)14-18-11(9-22-6)7-12(19-14)20(4)8-13-16-10-17-21(13)5/h7,10H,8-9H2,1-6H3
InChIKeyQMFNDWNYLGZNJY-UHFFFAOYSA-N
XLogP1.69
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 75431432) is 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is COCc1cc(N(C)Cc2ncnn2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is QMFNDWNYLGZNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-15(2,3)14-18-11(9-22-6)7-12(19-14)20(4)8-13-16-10-17-21(13)5/h7,10H,8-9H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 304.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 75431432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).