2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C16H21F3N6S — CID 166765622

IUPAC2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(C(C)(C)CN)sc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1
InChIInChI=1S/C16H21F3N6S/c1-8-12(26-13(22-8)15(2,3)7-20)25-14-21-6-10(16(17,18)19)11(24-14)23-9-4-5-9/h6,9H,4-5,7,20H2,1-3H3,(H2,21,23,24,25)
InChIKeyPLQPZYIPPZVYEF-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.81
Rot. Bonds6

About 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 166765622) has the molecular formula C16H21F3N6S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID166765622
Molecular FormulaC16H21F3N6S
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(C(C)(C)CN)sc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1
InChIInChI=1S/C16H21F3N6S/c1-8-12(26-13(22-8)15(2,3)7-20)25-14-21-6-10(16(17,18)19)11(24-14)23-9-4-5-9/h6,9H,4-5,7,20H2,1-3H3,(H2,21,23,24,25)
InChIKeyPLQPZYIPPZVYEF-UHFFFAOYSA-N
XLogP3.81
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 166765622) is 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(C(C)(C)CN)sc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1.
What is the InChIKey of 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PLQPZYIPPZVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6S/c1-8-12(26-13(22-8)15(2,3)7-20)25-14-21-6-10(16(17,18)19)11(24-14)23-9-4-5-9/h6,9H,4-5,7,20H2,1-3H3,(H2,21,23,24,25).
What are the key properties of 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 386.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-amino-2-methylpropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 166765622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).