N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

C13H18N4S — CID 164636778

IUPACN,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)C[C@H](C)c2nccs2)c1C
InChIInChI=1S/C13H18N4S/c1-9(13-14-5-6-18-13)7-17(4)12-10(2)11(3)15-8-16-12/h5-6,8-9H,7H2,1-4H3/t9-/m0/s1
InChIKeyBPDQGYPCPFUMRZ-VIFPVBQESA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds4

About N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine

N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 164636778) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID164636778
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCc1ncnc(N(C)C[C@H](C)c2nccs2)c1C
InChIInChI=1S/C13H18N4S/c1-9(13-14-5-6-18-13)7-17(4)12-10(2)11(3)15-8-16-12/h5-6,8-9H,7H2,1-4H3/t9-/m0/s1
InChIKeyBPDQGYPCPFUMRZ-VIFPVBQESA-N
XLogP2.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (CID 164636778) is N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is Cc1ncnc(N(C)C[C@H](C)c2nccs2)c1C.
What is the InChIKey of N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is BPDQGYPCPFUMRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(13-14-5-6-18-13)7-17(4)12-10(2)11(3)15-8-16-12/h5-6,8-9H,7H2,1-4H3/t9-/m0/s1.
What are the key properties of N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 164636778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).