2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C15H25N3 — CID 114270687

IUPAC2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(C(C)C(C)(C)C)nc2c1CCC2
InChIInChI=1S/C15H25N3/c1-6-16-14-11-8-7-9-12(11)17-13(18-14)10(2)15(3,4)5/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyUETKHTMPSWLUBK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.55
Rot. Bonds3

About 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 114270687) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID114270687
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCNc1nc(C(C)C(C)(C)C)nc2c1CCC2
InChIInChI=1S/C15H25N3/c1-6-16-14-11-8-7-9-12(11)17-13(18-14)10(2)15(3,4)5/h10H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyUETKHTMPSWLUBK-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 114270687) is 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCNc1nc(C(C)C(C)(C)C)nc2c1CCC2.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is UETKHTMPSWLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-6-16-14-11-8-7-9-12(11)17-13(18-14)10(2)15(3,4)5/h10H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 114270687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).