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

C14H21N3OS — CID 62188539

IUPAC2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COC(C)CC)nc2sccc12
InChIInChI=1S/C14H21N3OS/c1-4-7-15-13-11-6-8-19-14(11)17-12(16-13)9-18-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17)
InChIKeyCQRWUUSPQSTETH-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.83
Rot. Bonds7

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

2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188539) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62188539
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(COC(C)CC)nc2sccc12
InChIInChI=1S/C14H21N3OS/c1-4-7-15-13-11-6-8-19-14(11)17-12(16-13)9-18-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17)
InChIKeyCQRWUUSPQSTETH-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728435
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
2-[propan-2-yl-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 62207948
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
2-[(2-methylphenyl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485368
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62188539) is 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(COC(C)CC)nc2sccc12.
What is the InChIKey of 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CQRWUUSPQSTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-7-15-13-11-6-8-19-14(11)17-12(16-13)9-18-10(3)5-2/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).