4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide

C14H17ClN4OS — CID 103322070

IUPAC4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCc1cc2c(NCCCC(=O)NC3CC3)nc(Cl)nc2s1
InChIInChI=1S/C14H17ClN4OS/c1-8-7-10-12(18-14(15)19-13(10)21-8)16-6-2-3-11(20)17-9-4-5-9/h7,9H,2-6H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyTZTIMXBZCIKOSG-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.12
Rot. Bonds6

About 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide

4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide (PubChem CID 103322070) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
PubChem CID103322070
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCc1cc2c(NCCCC(=O)NC3CC3)nc(Cl)nc2s1
InChIInChI=1S/C14H17ClN4OS/c1-8-7-10-12(18-14(15)19-13(10)21-8)16-6-2-3-11(20)17-9-4-5-9/h7,9H,2-6H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyTZTIMXBZCIKOSG-UHFFFAOYSA-N
XLogP3.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide (CID 103322070) is 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide is Cc1cc2c(NCCCC(=O)NC3CC3)nc(Cl)nc2s1.
What is the InChIKey of 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is TZTIMXBZCIKOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-8-7-10-12(18-14(15)19-13(10)21-8)16-6-2-3-11(20)17-9-4-5-9/h7,9H,2-6H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 324.84 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 103322070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).