N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C16H16ClN3S — CID 102687350

IUPACN-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)(CCl)c3ccccc3)ncnc12
InChIInChI=1S/C16H16ClN3S/c1-11-8-21-14-13(11)18-10-19-15(14)20-16(2,9-17)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyFFJRMDDPOQXJSQ-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.57
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102687350) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102687350
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC(C)(CCl)c3ccccc3)ncnc12
InChIInChI=1S/C16H16ClN3S/c1-11-8-21-14-13(11)18-10-19-15(14)20-16(2,9-17)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyFFJRMDDPOQXJSQ-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102687350) is N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC(C)(CCl)c3ccccc3)ncnc12.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FFJRMDDPOQXJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-11-8-21-14-13(11)18-10-19-15(14)20-16(2,9-17)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).