6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

C13H17N3OS — CID 66329575

IUPAC6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2ccsc2)ncn1
InChIInChI=1S/C13H17N3OS/c1-10(2)17-13-7-12(15-9-16-13)14-5-3-11-4-6-18-8-11/h4,6-10H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyFKEYLJXFPMOGEW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.98
Rot. Bonds6

About 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine

6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (PubChem CID 66329575) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
PubChem CID66329575
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCc2ccsc2)ncn1
InChIInChI=1S/C13H17N3OS/c1-10(2)17-13-7-12(15-9-16-13)14-5-3-11-4-6-18-8-11/h4,6-10H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyFKEYLJXFPMOGEW-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 106972720
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine (CID 66329575) is 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is CC(C)Oc1cc(NCCc2ccsc2)ncn1.
What is the InChIKey of 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
The InChIKey is FKEYLJXFPMOGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10(2)17-13-7-12(15-9-16-13)14-5-3-11-4-6-18-8-11/h4,6-10H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine?
6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66329575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).