N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine

C10H11N3OS — CID 103331220

IUPACN-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
SMILESC=CCOc1nc(NC)nc2sccc12
InChIInChI=1S/C10H11N3OS/c1-3-5-14-8-7-4-6-15-9(7)13-10(11-2)12-8/h3-4,6H,1,5H2,2H3,(H,11,12,13)
InChIKeyDPNSMVDFCHSONR-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine

N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331220) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103331220
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
SMILESC=CCOc1nc(NC)nc2sccc12
InChIInChI=1S/C10H11N3OS/c1-3-5-14-8-7-4-6-15-9(7)13-10(11-2)12-8/h3-4,6H,1,5H2,2H3,(H,11,12,13)
InChIKeyDPNSMVDFCHSONR-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine 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

N-methyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331246
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333001
4-(cyclohexylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332489
4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 106795448
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016
4-(2,6-dimethyloxan-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333385
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine (CID 103331220) is N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine is C=CCOc1nc(NC)nc2sccc12.
What is the InChIKey of N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DPNSMVDFCHSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-5-14-8-7-4-6-15-9(7)13-10(11-2)12-8/h3-4,6H,1,5H2,2H3,(H,11,12,13).
What are the key properties of N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).