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

C16H23N5O — CID 75431427

IUPAC2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2cnccn2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N5O/c1-16(2,3)15-19-12(11-22-5)8-14(20-15)21(4)10-13-9-17-6-7-18-13/h6-9H,10-11H2,1-5H3
InChIKeyFHDBOVGRHAPADN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds5

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

2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 75431427) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
PubChem CID75431427
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(N(C)Cc2cnccn2)nc(C(C)(C)C)n1
InChIInChI=1S/C16H23N5O/c1-16(2,3)15-19-12(11-22-5)8-14(20-15)21(4)10-13-9-17-6-7-18-13/h6-9H,10-11H2,1-5H3
InChIKeyFHDBOVGRHAPADN-UHFFFAOYSA-N
XLogP2.35
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine (CID 75431427) is 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine is COCc1cc(N(C)Cc2cnccn2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is FHDBOVGRHAPADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-16(2,3)15-19-12(11-22-5)8-14(20-15)21(4)10-13-9-17-6-7-18-13/h6-9H,10-11H2,1-5H3.
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 75431427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).