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

C12H17N5S — CID 80846566

IUPAC5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCc1cscn1
InChIInChI=1S/C12H17N5S/c1-2-3-10-11(13)15-7-16-12(10)14-5-4-9-6-18-8-17-9/h6-8H,2-5H2,1H3,(H3,13,14,15,16)
InChIKeyPRWFUILROUGGTG-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.12
Rot. Bonds6

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

5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80846566) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80846566
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCc1cscn1
InChIInChI=1S/C12H17N5S/c1-2-3-10-11(13)15-7-16-12(10)14-5-4-9-6-18-8-17-9/h6-8H,2-5H2,1H3,(H3,13,14,15,16)
InChIKeyPRWFUILROUGGTG-UHFFFAOYSA-N
XLogP2.12
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 80909420
6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 63826299
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106041779
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772

Frequently Asked Questions

What is the IUPAC name of 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine (CID 80846566) is 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCCc1cscn1.
What is the InChIKey of 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is PRWFUILROUGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-2-3-10-11(13)15-7-16-12(10)14-5-4-9-6-18-8-17-9/h6-8H,2-5H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine?
5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80846566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).