3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol

C15H17N3O — CID 62202491

IUPAC3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
SMILESCCNc1nc(-c2cccc(O)c2)nc2c1CCC2
InChIInChI=1S/C15H17N3O/c1-2-16-15-12-7-4-8-13(12)17-14(18-15)10-5-3-6-11(19)9-10/h3,5-6,9,19H,2,4,7-8H2,1H3,(H,16,17,18)
InChIKeyVTSQWCKMJFPRDE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.77
Rot. Bonds3

About 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol

3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol (PubChem CID 62202491) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
PubChem CID62202491
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
SMILESCCNc1nc(-c2cccc(O)c2)nc2c1CCC2
InChIInChI=1S/C15H17N3O/c1-2-16-15-12-7-4-8-13(12)17-14(18-15)10-5-3-6-11(19)9-10/h3,5-6,9,19H,2,4,7-8H2,1H3,(H,16,17,18)
InChIKeyVTSQWCKMJFPRDE-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol (CID 62202491) is 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol is CCNc1nc(-c2cccc(O)c2)nc2c1CCC2.
What is the InChIKey of 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
The InChIKey is VTSQWCKMJFPRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-16-15-12-7-4-8-13(12)17-14(18-15)10-5-3-6-11(19)9-10/h3,5-6,9,19H,2,4,7-8H2,1H3,(H,16,17,18).
What are the key properties of 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol has a molecular weight of 255.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 62202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).