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

C12H17N5S — CID 80845214

IUPAC6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
SMILESCCC(Nc1ncnc(NC)c1C)c1nccs1
InChIInChI=1S/C12H17N5S/c1-4-9(12-14-5-6-18-12)17-11-8(2)10(13-3)15-7-16-11/h5-7,9H,4H2,1-3H3,(H2,13,15,16,17)
InChIKeyDLHVKIAFHXBLNR-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.85
Rot. Bonds5

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

6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine (PubChem CID 80845214) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
PubChem CID80845214
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
SMILESCCC(Nc1ncnc(NC)c1C)c1nccs1
InChIInChI=1S/C12H17N5S/c1-4-9(12-14-5-6-18-12)17-11-8(2)10(13-3)15-7-16-11/h5-7,9H,4H2,1-3H3,(H2,13,15,16,17)
InChIKeyDLHVKIAFHXBLNR-UHFFFAOYSA-N
XLogP2.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 97196496
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
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79072717
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 66328037
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
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 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine (CID 80845214) is 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine is CCC(Nc1ncnc(NC)c1C)c1nccs1.
What is the InChIKey of 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
The InChIKey is DLHVKIAFHXBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-9(12-14-5-6-18-12)17-11-8(2)10(13-3)15-7-16-11/h5-7,9H,4H2,1-3H3,(H2,13,15,16,17).
What are the key properties of 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80845214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).