5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

C16H17N5S — CID 166363647

IUPAC5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NCc2cnc(-c3ccccc3)s2)c1C
InChIInChI=1S/C16H17N5S/c1-10-11(2)20-16(17)21-14(10)18-8-13-9-19-15(22-13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H3,17,18,20,21)
InChIKeyDWUBZWQBPCTWEG-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.41
Rot. Bonds4

About 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 166363647) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID166363647
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(NCc2cnc(-c3ccccc3)s2)c1C
InChIInChI=1S/C16H17N5S/c1-10-11(2)20-16(17)21-14(10)18-8-13-9-19-15(22-13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H3,17,18,20,21)
InChIKeyDWUBZWQBPCTWEG-UHFFFAOYSA-N
XLogP3.41
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 166363647) is 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1nc(N)nc(NCc2cnc(-c3ccccc3)s2)c1C.
What is the InChIKey of 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DWUBZWQBPCTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-10-11(2)20-16(17)21-14(10)18-8-13-9-19-15(22-13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H3,17,18,20,21).
What are the key properties of 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 311.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166363647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).