N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

C19H21N3S — CID 16553299

IUPACN-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2sc(-c3ccccc3)cc12)C1CCCCC1
InChIInChI=1S/C19H21N3S/c1-22(15-10-6-3-7-11-15)18-16-12-17(14-8-4-2-5-9-14)23-19(16)21-13-20-18/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3
InChIKeyFUKPWHACXVPVMF-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.13
Rot. Bonds3

About N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16553299) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16553299
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC NameN-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2sc(-c3ccccc3)cc12)C1CCCCC1
InChIInChI=1S/C19H21N3S/c1-22(15-10-6-3-7-11-15)18-16-12-17(14-8-4-2-5-9-14)23-19(16)21-13-20-18/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3
InChIKeyFUKPWHACXVPVMF-UHFFFAOYSA-N
XLogP5.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 16553299) is N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is CN(c1ncnc2sc(-c3ccccc3)cc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FUKPWHACXVPVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-22(15-10-6-3-7-11-15)18-16-12-17(14-8-4-2-5-9-14)23-19(16)21-13-20-18/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 323.46 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16553299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).