2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine

C15H22N4S — CID 114868289

IUPAC2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(CC(C)C)c(C(C)C)s2)c(N)n1
InChIInChI=1S/C15H22N4S/c1-8(2)6-12-13(9(3)4)20-15(19-12)11-7-17-10(5)18-14(11)16/h7-9H,6H2,1-5H3,(H2,16,17,18)
InChIKeyXTBHNSFNTHBWTR-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.81
Rot. Bonds4

About 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine

2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 114868289) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID114868289
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nc(CC(C)C)c(C(C)C)s2)c(N)n1
InChIInChI=1S/C15H22N4S/c1-8(2)6-12-13(9(3)4)20-15(19-12)11-7-17-10(5)18-14(11)16/h7-9H,6H2,1-5H3,(H2,16,17,18)
InChIKeyXTBHNSFNTHBWTR-UHFFFAOYSA-N
XLogP3.81
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 114868289) is 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine is Cc1ncc(-c2nc(CC(C)C)c(C(C)C)s2)c(N)n1.
What is the InChIKey of 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is XTBHNSFNTHBWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-8(2)6-12-13(9(3)4)20-15(19-12)11-7-17-10(5)18-14(11)16/h7-9H,6H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine?
2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 114868289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).