N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C16H16N4OS — CID 59360026

IUPACN-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(OC2CCNC2)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C16H16N4OS/c1-2-4-14(21-11-5-7-17-9-11)13(3-1)20-15-12-6-8-22-16(12)19-10-18-15/h1-4,6,8,10-11,17H,5,7,9H2,(H,18,19,20)
InChIKeyCMXKLIWHCVGZPQ-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.18
Rot. Bonds4

About N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59360026) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59360026
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(OC2CCNC2)c(Nc2ncnc3sccc23)c1
InChIInChI=1S/C16H16N4OS/c1-2-4-14(21-11-5-7-17-9-11)13(3-1)20-15-12-6-8-22-16(12)19-10-18-15/h1-4,6,8,10-11,17H,5,7,9H2,(H,18,19,20)
InChIKeyCMXKLIWHCVGZPQ-UHFFFAOYSA-N
XLogP3.18
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 59360026) is N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(OC2CCNC2)c(Nc2ncnc3sccc23)c1.
What is the InChIKey of N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CMXKLIWHCVGZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-4-14(21-11-5-7-17-9-11)13(3-1)20-15-12-6-8-22-16(12)19-10-18-15/h1-4,6,8,10-11,17H,5,7,9H2,(H,18,19,20).
What are the key properties of N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59360026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).