2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C17H24N4O — CID 75380111

IUPAC2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2ccccn2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4O/c1-17(2,3)16-19-14(12-22-5)10-15(20-16)21(4)11-13-8-6-7-9-18-13/h6-10H,11-12H2,1-5H3
InChIKeyXATCUYJNFYGCTB-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.95
Rot. Bonds5

About 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 75380111) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID75380111
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2ccccn2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H24N4O/c1-17(2,3)16-19-14(12-22-5)10-15(20-16)21(4)11-13-8-6-7-9-18-13/h6-10H,11-12H2,1-5H3
InChIKeyXATCUYJNFYGCTB-UHFFFAOYSA-N
XLogP2.95
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 75380111) is 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is COCc1cc(N(C)Cc2ccccn2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is XATCUYJNFYGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-17(2,3)16-19-14(12-22-5)10-15(20-16)21(4)11-13-8-6-7-9-18-13/h6-10H,11-12H2,1-5H3.
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 75380111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).