4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde

C14H19N5OS — CID 88740644

IUPAC4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde
SMILESCCCc1cc2c(N)nc(N3CCN(C=O)CC3)nc2s1
InChIInChI=1S/C14H19N5OS/c1-2-3-10-8-11-12(15)16-14(17-13(11)21-10)19-6-4-18(9-20)5-7-19/h8-9H,2-7H2,1H3,(H2,15,16,17)
InChIKeyOCHZFDDTCMBWNE-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.50
Rot. Bonds4

About 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde

4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde (PubChem CID 88740644) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde
PubChem CID88740644
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde
SMILESCCCc1cc2c(N)nc(N3CCN(C=O)CC3)nc2s1
InChIInChI=1S/C14H19N5OS/c1-2-3-10-8-11-12(15)16-14(17-13(11)21-10)19-6-4-18(9-20)5-7-19/h8-9H,2-7H2,1H3,(H2,15,16,17)
InChIKeyOCHZFDDTCMBWNE-UHFFFAOYSA-N
XLogP1.50
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2-Fluoroethyl)thieno[2,3-D]pyrimidine
CID 91864570
6-(2,2-Difluoroethyl)-4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]thieno[2,3-D]pyrimidine
CID 122189305
7-Methyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CID 2006142
1-Methyl-4-{2-methyl-6-phenylthieno[2,3-D]pyrimidin-4-YL}piperazine
CID 2086721
2-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 2556904
4-(2,5-Dimethoxyphenyl)-3-buten-2-one
CID 456227
1-(4-(6-Ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-2-phenylethanone
CID 9969173
3-(3-(6-Ethyl-4-(4-(3,3,3-trifluoropropanoyl)piperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl)ureido)propanoic acid
CID 11950328
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 46231850

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde (CID 88740644) is 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde is CCCc1cc2c(N)nc(N3CCN(C=O)CC3)nc2s1.
What is the InChIKey of 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is OCHZFDDTCMBWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-3-10-8-11-12(15)16-14(17-13(11)21-10)19-6-4-18(9-20)5-7-19/h8-9H,2-7H2,1H3,(H2,15,16,17).
What are the key properties of 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde?
4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 305.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-propylthieno[2,3-d]pyrimidin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 88740644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).