4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine

C13H18N4S — CID 125137571

IUPAC4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC[C@H](C)c2nc(C)cs2)n1
InChIInChI=1S/C13H18N4S/c1-8(12-15-11(4)7-18-12)6-14-13-16-9(2)5-10(3)17-13/h5,7-8H,6H2,1-4H3,(H,14,16,17)/t8-/m0/s1
InChIKeyUOECTSIQTWGUPB-QMMMGPOBSA-N
MW262.38 g/mol
LogP3.07
Rot. Bonds4

About 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine

4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine (PubChem CID 125137571) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
PubChem CID125137571
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NC[C@H](C)c2nc(C)cs2)n1
InChIInChI=1S/C13H18N4S/c1-8(12-15-11(4)7-18-12)6-14-13-16-9(2)5-10(3)17-13/h5,7-8H,6H2,1-4H3,(H,14,16,17)/t8-/m0/s1
InChIKeyUOECTSIQTWGUPB-QMMMGPOBSA-N
XLogP3.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine (CID 125137571) is 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine is Cc1cc(C)nc(NC[C@H](C)c2nc(C)cs2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
The InChIKey is UOECTSIQTWGUPB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8(12-15-11(4)7-18-12)6-14-13-16-9(2)5-10(3)17-13/h5,7-8H,6H2,1-4H3,(H,14,16,17)/t8-/m0/s1.
What are the key properties of 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 125137571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).