N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C16H17N5S — CID 18167052

IUPACN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3sccc23)cc(N2CCCC2)n1
InChIInChI=1S/C16H17N5S/c1-2-7-21(6-1)14-9-12(3-5-17-14)10-18-15-13-4-8-22-16(13)20-11-19-15/h3-5,8-9,11H,1-2,6-7,10H2,(H,18,19,20)
InChIKeyRHDBJYKMBBYUCH-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.30
Rot. Bonds4

About N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18167052) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID18167052
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3sccc23)cc(N2CCCC2)n1
InChIInChI=1S/C16H17N5S/c1-2-7-21(6-1)14-9-12(3-5-17-14)10-18-15-13-4-8-22-16(13)20-11-19-15/h3-5,8-9,11H,1-2,6-7,10H2,(H,18,19,20)
InChIKeyRHDBJYKMBBYUCH-UHFFFAOYSA-N
XLogP3.30
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 18167052) is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is c1cc(CNc2ncnc3sccc23)cc(N2CCCC2)n1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RHDBJYKMBBYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-7-21(6-1)14-9-12(3-5-17-14)10-18-15-13-4-8-22-16(13)20-11-19-15/h3-5,8-9,11H,1-2,6-7,10H2,(H,18,19,20).
What are the key properties of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18167052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).