6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one

C10H13N3OS — CID 103331625

IUPAC6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCNc1nc2sc(C)cc2c(=O)[nH]1
InChIInChI=1S/C10H13N3OS/c1-3-4-11-10-12-8(14)7-5-6(2)15-9(7)13-10/h5H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyPZCSIPPKTXYMIF-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.11
Rot. Bonds3

About 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one

6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 103331625) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID103331625
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCNc1nc2sc(C)cc2c(=O)[nH]1
InChIInChI=1S/C10H13N3OS/c1-3-4-11-10-12-8(14)7-5-6(2)15-9(7)13-10/h5H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyPZCSIPPKTXYMIF-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331621
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-(2,2-dimethylpropyl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63891532
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837
2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 166120129
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 170237991
2-(propylamino)-3H-pteridin-4-one
CID 141118544
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one (CID 103331625) is 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one is CCCNc1nc2sc(C)cc2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PZCSIPPKTXYMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-4-11-10-12-8(14)7-5-6(2)15-9(7)13-10/h5H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 103331625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).