2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C15H18N4S — CID 45278943

IUPAC2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C2CC2)nc2sc(CN3CC=CCC3)cc12
InChIInChI=1S/C15H18N4S/c16-13-12-8-11(9-19-6-2-1-3-7-19)20-15(12)18-14(17-13)10-4-5-10/h1-2,8,10H,3-7,9H2,(H2,16,17,18)
InChIKeyYZRKAQUGJRMGDU-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.91
Rot. Bonds3

About 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45278943) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45278943
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(C2CC2)nc2sc(CN3CC=CCC3)cc12
InChIInChI=1S/C15H18N4S/c16-13-12-8-11(9-19-6-2-1-3-7-19)20-15(12)18-14(17-13)10-4-5-10/h1-2,8,10H,3-7,9H2,(H2,16,17,18)
InChIKeyYZRKAQUGJRMGDU-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45278943) is 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(C2CC2)nc2sc(CN3CC=CCC3)cc12.
What is the InChIKey of 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YZRKAQUGJRMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c16-13-12-8-11(9-19-6-2-1-3-7-19)20-15(12)18-14(17-13)10-4-5-10/h1-2,8,10H,3-7,9H2,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,6-dihydro-2H-pyridin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45278943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).