N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine

C12H10N4S — CID 43236117

IUPACN-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3ccsc23)ccn1
InChIInChI=1S/C12H10N4S/c1-4-13-5-2-9(1)7-14-12-11-10(3-6-17-11)15-8-16-12/h1-6,8H,7H2,(H,14,15,16)
InChIKeyOPYBHEVVOPIYNQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.70
Rot. Bonds3

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

N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 43236117) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID43236117
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC NameN-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(CNc2ncnc3ccsc23)ccn1
InChIInChI=1S/C12H10N4S/c1-4-13-5-2-9(1)7-14-12-11-10(3-6-17-11)15-8-16-12/h1-6,8H,7H2,(H,14,15,16)
InChIKeyOPYBHEVVOPIYNQ-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 54943655
N-(1H-pyrazol-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 61000868
2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]phenol
CID 113228774
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 113345406
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
CID 104577253
N-(2-methyl-2-thiophen-2-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 78962884
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
CID 103704438
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine (CID 43236117) is N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is c1cc(CNc2ncnc3ccsc23)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OPYBHEVVOPIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-4-13-5-2-9(1)7-14-12-11-10(3-6-17-11)15-8-16-12/h1-6,8H,7H2,(H,14,15,16).
What are the key properties of N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine?
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 242.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 43236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).