N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 67605109

IUPACN-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1CC(C)Nc1ncnc2sccc12
InChIInChI=1S/C16H17N3S/c1-11-5-3-4-6-13(11)9-12(2)19-15-14-7-8-20-16(14)18-10-17-15/h3-8,10,12H,9H2,1-2H3,(H,17,18,19)
InChIKeyJAQRBMWHZARBKK-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine

N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 67605109) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID67605109
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1CC(C)Nc1ncnc2sccc12
InChIInChI=1S/C16H17N3S/c1-11-5-3-4-6-13(11)9-12(2)19-15-14-7-8-20-16(14)18-10-17-15/h3-8,10,12H,9H2,1-2H3,(H,17,18,19)
InChIKeyJAQRBMWHZARBKK-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine (CID 67605109) is N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccccc1CC(C)Nc1ncnc2sccc12.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JAQRBMWHZARBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-5-3-4-6-13(11)9-12(2)19-15-14-7-8-20-16(14)18-10-17-15/h3-8,10,12H,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67605109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).