N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine

C13H19N3OS — CID 62194153

IUPACN-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCOCc1nc(NC)c2ccsc2n1
InChIInChI=1S/C13H19N3OS/c1-3-4-5-7-17-9-11-15-12(14-2)10-6-8-18-13(10)16-11/h6,8H,3-5,7,9H2,1-2H3,(H,14,15,16)
InChIKeyPDJYWKXAJVAQQX-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.44
Rot. Bonds7

About N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62194153) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62194153
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCOCc1nc(NC)c2ccsc2n1
InChIInChI=1S/C13H19N3OS/c1-3-4-5-7-17-9-11-15-12(14-2)10-6-8-18-13(10)16-11/h6,8H,3-5,7,9H2,1-2H3,(H,14,15,16)
InChIKeyPDJYWKXAJVAQQX-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
N-methyl-2-(3,3,3-trifluoropropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82956781
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
N-methyl-2-(oxan-2-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62195337
[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103405541
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62194153) is N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine is CCCCCOCc1nc(NC)c2ccsc2n1.
What is the InChIKey of N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PDJYWKXAJVAQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-4-5-7-17-9-11-15-12(14-2)10-6-8-18-13(10)16-11/h6,8H,3-5,7,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62194153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).