2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C16H25N3OS — CID 62193587

IUPAC2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCCCC(C)C)nc2sccc12
InChIInChI=1S/C16H25N3OS/c1-4-8-17-15-13-7-10-21-16(13)19-14(18-15)11-20-9-5-6-12(2)3/h7,10,12H,4-6,8-9,11H2,1-3H3,(H,17,18,19)
InChIKeyDERKTDSCVBBHGM-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.47
Rot. Bonds9

About 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193587) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62193587
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COCCCC(C)C)nc2sccc12
InChIInChI=1S/C16H25N3OS/c1-4-8-17-15-13-7-10-21-16(13)19-14(18-15)11-20-9-5-6-12(2)3/h7,10,12H,4-6,8-9,11H2,1-3H3,(H,17,18,19)
InChIKeyDERKTDSCVBBHGM-UHFFFAOYSA-N
XLogP4.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.47
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-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
2-(oxolan-2-ylmethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193733
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150246
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62193587) is 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(COCCCC(C)C)nc2sccc12.
What is the InChIKey of 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DERKTDSCVBBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-8-17-15-13-7-10-21-16(13)19-14(18-15)11-20-9-5-6-12(2)3/h7,10,12H,4-6,8-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.46 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).