5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C14H19N5OS — CID 103328236

IUPAC5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1nc(NCC2CCC(=O)N2)c2cc(C)sc2n1
InChIInChI=1S/C14H19N5OS/c1-3-15-14-18-12(10-6-8(2)21-13(10)19-14)16-7-9-4-5-11(20)17-9/h6,9H,3-5,7H2,1-2H3,(H,17,20)(H2,15,16,18,19)
InChIKeyWWVPBSXNXZNMBS-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.12
Rot. Bonds5

About 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 103328236) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID103328236
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCNc1nc(NCC2CCC(=O)N2)c2cc(C)sc2n1
InChIInChI=1S/C14H19N5OS/c1-3-15-14-18-12(10-6-8(2)21-13(10)19-14)16-7-9-4-5-11(20)17-9/h6,9H,3-5,7H2,1-2H3,(H,17,20)(H2,15,16,18,19)
InChIKeyWWVPBSXNXZNMBS-UHFFFAOYSA-N
XLogP2.12
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107415805
5-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837054
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328237
2-N-ethyl-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327339
5-[[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80836534
5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837147

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 103328236) is 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CCNc1nc(NCC2CCC(=O)N2)c2cc(C)sc2n1.
What is the InChIKey of 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is WWVPBSXNXZNMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-15-14-18-12(10-6-8(2)21-13(10)19-14)16-7-9-4-5-11(20)17-9/h6,9H,3-5,7H2,1-2H3,(H,17,20)(H2,15,16,18,19).
What are the key properties of 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 305.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 103328236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).