4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C13H13N5S — CID 103330752

IUPAC4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccncc1CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H13N5S/c1-8-2-4-15-6-9(8)7-16-11-10-3-5-19-12(10)18-13(14)17-11/h2-6H,7H2,1H3,(H3,14,16,17,18)
InChIKeyGIXZDNMHJJKZAP-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.59
Rot. Bonds3

About 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330752) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330752
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1ccncc1CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H13N5S/c1-8-2-4-15-6-9(8)7-16-11-10-3-5-19-12(10)18-13(14)17-11/h2-6H,7H2,1H3,(H3,14,16,17,18)
InChIKeyGIXZDNMHJJKZAP-UHFFFAOYSA-N
XLogP2.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114701023
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328827
4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114957865

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330752) is 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1ccncc1CNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GIXZDNMHJJKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-2-4-15-6-9(8)7-16-11-10-3-5-19-12(10)18-13(14)17-11/h2-6H,7H2,1H3,(H3,14,16,17,18).
What are the key properties of 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 271.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).