3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one

C14H15N5OS — CID 80663820

IUPAC3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCNc1cc(C)nc(Cn2cnc3sccc3c2=O)n1
InChIInChI=1S/C14H15N5OS/c1-3-15-11-6-9(2)17-12(18-11)7-19-8-16-13-10(14(19)20)4-5-21-13/h4-6,8H,3,7H2,1-2H3,(H,15,17,18)
InChIKeyPMKILOUPEQROTR-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.04
Rot. Bonds4

About 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one

3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 80663820) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID80663820
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCNc1cc(C)nc(Cn2cnc3sccc3c2=O)n1
InChIInChI=1S/C14H15N5OS/c1-3-15-11-6-9(2)17-12(18-11)7-19-8-16-13-10(14(19)20)4-5-21-13/h4-6,8H,3,7H2,1-2H3,(H,15,17,18)
InChIKeyPMKILOUPEQROTR-UHFFFAOYSA-N
XLogP2.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 80656447
3-[[6-(ethylamino)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 62207128
5-bromo-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-6-methylpyrimidin-4-one
CID 80654435
3-[[4-(ethylamino)-2-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 79251879
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577055
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
CID 80654202
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 114218090
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
1-ethyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrimidine-2,4-dione
CID 80664411
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78859797

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one (CID 80663820) is 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one is CCNc1cc(C)nc(Cn2cnc3sccc3c2=O)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PMKILOUPEQROTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-15-11-6-9(2)17-12(18-11)7-19-8-16-13-10(14(19)20)4-5-21-13/h4-6,8H,3,7H2,1-2H3,(H,15,17,18).
What are the key properties of 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one?
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 301.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 80663820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).