N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C16H17N3S — CID 63086412

IUPACN-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)c2ccccc2)nc2sccc12
InChIInChI=1S/C16H17N3S/c1-16(2,11-7-5-4-6-8-11)15-18-13(17-3)12-9-10-20-14(12)19-15/h4-10H,1-3H3,(H,17,18,19)
InChIKeyOFKZDRBVDZYBNH-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.06
Rot. Bonds3

About N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63086412) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63086412
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)c2ccccc2)nc2sccc12
InChIInChI=1S/C16H17N3S/c1-16(2,11-7-5-4-6-8-11)15-18-13(17-3)12-9-10-20-14(12)19-15/h4-10H,1-3H3,(H,17,18,19)
InChIKeyOFKZDRBVDZYBNH-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
CID 63084498
2-(2-methoxybutan-2-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116775412
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 137431954
5-iodo-N-methyl-2-(2-phenylpropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66299748
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
2-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188533
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 64985882
2-(2-bromo-6-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114887684

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 63086412) is N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(C(C)(C)c2ccccc2)nc2sccc12.
What is the InChIKey of N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OFKZDRBVDZYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-16(2,11-7-5-4-6-8-11)15-18-13(17-3)12-9-10-20-14(12)19-15/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63086412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).