2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C15H23N3OS — CID 116728436

IUPAC2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)(C)C)nc2sccc12
InChIInChI=1S/C15H23N3OS/c1-6-8-16-12-10-7-9-20-14(10)18-13(17-12)11(19-5)15(2,3)4/h7,9,11H,6,8H2,1-5H3,(H,16,17,18)
InChIKeyXMSLOPPGPDYVSO-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.25
Rot. Bonds5

About 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116728436) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116728436
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(OC)C(C)(C)C)nc2sccc12
InChIInChI=1S/C15H23N3OS/c1-6-8-16-12-10-7-9-20-14(10)18-13(17-12)11(19-5)15(2,3)4/h7,9,11H,6,8H2,1-5H3,(H,16,17,18)
InChIKeyXMSLOPPGPDYVSO-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxybutyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728427
2-(1-ethoxy-2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116728435
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729820
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103150246
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 116728436) is 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C(OC)C(C)(C)C)nc2sccc12.
What is the InChIKey of 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XMSLOPPGPDYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-6-8-16-12-10-7-9-20-14(10)18-13(17-12)11(19-5)15(2,3)4/h7,9,11H,6,8H2,1-5H3,(H,16,17,18).
What are the key properties of 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,2-dimethylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116728436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).