N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H21N3OS — CID 78814524

IUPACN-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCCOCC3CC3)c2c1C
InChIInChI=1S/C15H21N3OS/c1-10-11(2)20-15-13(10)14(17-9-18-15)16-6-3-7-19-8-12-4-5-12/h9,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyVEDQYJPPWPNCAS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.54
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 78814524) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID78814524
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCCOCC3CC3)c2c1C
InChIInChI=1S/C15H21N3OS/c1-10-11(2)20-15-13(10)14(17-9-18-15)16-6-3-7-19-8-12-4-5-12/h9,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyVEDQYJPPWPNCAS-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 78814524) is N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCCCOCC3CC3)c2c1C.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VEDQYJPPWPNCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-11(2)20-15-13(10)14(17-9-18-15)16-6-3-7-19-8-12-4-5-12/h9,12H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 78814524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).