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

C15H17N3O2 — CID 62204243

IUPAC2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc2c1CCC2
InChIInChI=1S/C15H17N3O2/c1-16-15-10-4-3-5-11(10)17-14(18-15)9-6-7-13(20-2)12(19)8-9/h6-8,19H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyGJHRSPQUFOVHNM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.39
Rot. Bonds3

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

2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol (PubChem CID 62204243) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
PubChem CID62204243
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
SMILESCNc1nc(-c2ccc(OC)c(O)c2)nc2c1CCC2
InChIInChI=1S/C15H17N3O2/c1-16-15-10-4-3-5-11(10)17-14(18-15)9-6-7-13(20-2)12(19)8-9/h6-8,19H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyGJHRSPQUFOVHNM-UHFFFAOYSA-N
XLogP2.39
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol (CID 62204243) is 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol is CNc1nc(-c2ccc(OC)c(O)c2)nc2c1CCC2.
What is the InChIKey of 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
The InChIKey is GJHRSPQUFOVHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-15-10-4-3-5-11(10)17-14(18-15)9-6-7-13(20-2)12(19)8-9/h6-8,19H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol?
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 62204243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).