N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine

C17H18N4S — CID 17430718

IUPACN-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc(CN3CCCC3)cc2)c2ccsc2n1
InChIInChI=1S/C17H18N4S/c1-2-9-21(8-1)11-13-3-5-14(6-4-13)20-16-15-7-10-22-17(15)19-12-18-16/h3-7,10,12H,1-2,8-9,11H2,(H,18,19,20)
InChIKeyYCUBYOWLUDLZKY-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.03
Rot. Bonds4

About N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine

N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 17430718) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID17430718
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC NameN-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc(CN3CCCC3)cc2)c2ccsc2n1
InChIInChI=1S/C17H18N4S/c1-2-9-21(8-1)11-13-3-5-14(6-4-13)20-16-15-7-10-22-17(15)19-12-18-16/h3-7,10,12H,1-2,8-9,11H2,(H,18,19,20)
InChIKeyYCUBYOWLUDLZKY-UHFFFAOYSA-N
XLogP4.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-[4-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]cyclopropanecarboxamide
CID 26040319
N-[4-(1-adamantyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 3936212
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 9101289
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 91319173
N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 26448675
4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzonitrile
CID 9109446
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 17430718) is N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine is c1nc(Nc2ccc(CN3CCCC3)cc2)c2ccsc2n1.
What is the InChIKey of N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YCUBYOWLUDLZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-9-21(8-1)11-13-3-5-14(6-4-13)20-16-15-7-10-22-17(15)19-12-18-16/h3-7,10,12H,1-2,8-9,11H2,(H,18,19,20).
What are the key properties of N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 310.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17430718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).