2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C14H21N3OS — CID 116728427

IUPAC2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(CCC)OC)nc2sccc12
InChIInChI=1S/C14H21N3OS/c1-4-6-11(18-3)13-16-12(15-8-5-2)10-7-9-19-14(10)17-13/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeySNVBYFVLUIHSFO-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.00
Rot. Bonds7

About 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116728427) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116728427
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(CCC)OC)nc2sccc12
InChIInChI=1S/C14H21N3OS/c1-4-6-11(18-3)13-16-12(15-8-5-2)10-7-9-19-14(10)17-13/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeySNVBYFVLUIHSFO-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728436
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728435
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 116728427) is 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C(CCC)OC)nc2sccc12.
What is the InChIKey of 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SNVBYFVLUIHSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-6-11(18-3)13-16-12(15-8-5-2)10-7-9-19-14(10)17-13/h7,9,11H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116728427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).