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

C12H17N5S — CID 80949949

IUPAC2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC(C)c2nccs2)n1
InChIInChI=1S/C12H17N5S/c1-3-4-10-16-9(13)7-11(17-10)15-8(2)12-14-5-6-18-12/h5-8H,3-4H2,1-2H3,(H3,13,15,16,17)
InChIKeyYTJHHQDOOANRIL-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.64
Rot. Bonds5

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

2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80949949) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80949949
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC(C)c2nccs2)n1
InChIInChI=1S/C12H17N5S/c1-3-4-10-16-9(13)7-11(17-10)15-8(2)12-14-5-6-18-12/h5-8H,3-4H2,1-2H3,(H3,13,15,16,17)
InChIKeyYTJHHQDOOANRIL-UHFFFAOYSA-N
XLogP2.64
TPSA76.72 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
6-hydrazinyl-5-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 81006098
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845107
6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78946443
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
6-chloro-2-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113401003
6-hydrazinyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917620
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
2-ethyl-4-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 113387604
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80949949) is 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is CCCc1nc(N)cc(NC(C)c2nccs2)n1.
What is the InChIKey of 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is YTJHHQDOOANRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-4-10-16-9(13)7-11(17-10)15-8(2)12-14-5-6-18-12/h5-8H,3-4H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80949949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).