(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one

C16H23N3O2 — CID 97213255

IUPAC(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CCc2cncnc2C1
InChIInChI=1S/C16H23N3O2/c1-2-15(21-13-5-3-4-6-13)16(20)19-8-7-12-9-17-11-18-14(12)10-19/h9,11,13,15H,2-8,10H2,1H3/t15-/m1/s1
InChIKeyZOJDFBRHTYRZCL-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one

(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one (PubChem CID 97213255) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one
PubChem CID97213255
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one
SMILESCC[C@@H](OC1CCCC1)C(=O)N1CCc2cncnc2C1
InChIInChI=1S/C16H23N3O2/c1-2-15(21-13-5-3-4-6-13)16(20)19-8-7-12-9-17-11-18-14(12)10-19/h9,11,13,15H,2-8,10H2,1H3/t15-/m1/s1
InChIKeyZOJDFBRHTYRZCL-OAHLLOKOSA-N
XLogP2.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one?
The IUPAC name of (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one (CID 97213255) is (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one.
What is the SMILES notation for (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one?
The canonical SMILES for (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one is CC[C@@H](OC1CCCC1)C(=O)N1CCc2cncnc2C1.
What is the InChIKey of (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one?
The InChIKey is ZOJDFBRHTYRZCL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-15(21-13-5-3-4-6-13)16(20)19-8-7-12-9-17-11-18-14(12)10-19/h9,11,13,15H,2-8,10H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one?
(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one is sourced from PubChem (CID 97213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).