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

C12H16N4S — CID 97196496

IUPAC5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCC[C@@H](Nc1ncnc(C)c1C)c1nccs1
InChIInChI=1S/C12H16N4S/c1-4-10(12-13-5-6-17-12)16-11-8(2)9(3)14-7-15-11/h5-7,10H,4H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyRDLRWGXLSANPAV-SNVBAGLBSA-N
MW248.35 g/mol
LogP3.11
Rot. Bonds4

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

5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 97196496) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID97196496
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
SMILESCC[C@@H](Nc1ncnc(C)c1C)c1nccs1
InChIInChI=1S/C12H16N4S/c1-4-10(12-13-5-6-17-12)16-11-8(2)9(3)14-7-15-11/h5-7,10H,4H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyRDLRWGXLSANPAV-SNVBAGLBSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80845214
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79072717
3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 80509803
2-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 97327991
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 66328037
4,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113484320
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine (CID 97196496) is 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is CC[C@@H](Nc1ncnc(C)c1C)c1nccs1.
What is the InChIKey of 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is RDLRWGXLSANPAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4S/c1-4-10(12-13-5-6-17-12)16-11-8(2)9(3)14-7-15-11/h5-7,10H,4H2,1-3H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine?
5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 97196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).