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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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).