2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

C15H22N4OS — CID 133404924

IUPAC2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cnc(C)s2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-10-16-7-12(21-10)8-17-13-6-11(9-20-5)18-14(19-13)15(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,18,19)
InChIKeyPRFLYAVHQWYZEK-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.30
Rot. Bonds5

About 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 133404924) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID133404924
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cnc(C)s2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H22N4OS/c1-10-16-7-12(21-10)8-17-13-6-11(9-20-5)18-14(19-13)15(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,18,19)
InChIKeyPRFLYAVHQWYZEK-UHFFFAOYSA-N
XLogP3.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 133404924) is 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is COCc1cc(NCc2cnc(C)s2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is PRFLYAVHQWYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10-16-7-12(21-10)8-17-13-6-11(9-20-5)18-14(19-13)15(2,3)4/h6-7H,8-9H2,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methoxymethyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133404924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).