(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C19H22N2O3 — CID 51700893

IUPAC(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18-15-11-12-16(24-14-9-5-2-6-10-14)17(15)20-19(23)21(18)13-7-3-1-4-8-13/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,20,23)/t16-/m1/s1
InChIKeyIEYDMZSSJGPLQP-MRXNPFEDSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds3

About (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 51700893) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID51700893
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-18-15-11-12-16(24-14-9-5-2-6-10-14)17(15)20-19(23)21(18)13-7-3-1-4-8-13/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,20,23)/t16-/m1/s1
InChIKeyIEYDMZSSJGPLQP-MRXNPFEDSA-N
XLogP3.11
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 51700893) is (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Oc1ccccc1.
What is the InChIKey of (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is IEYDMZSSJGPLQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18-15-11-12-16(24-14-9-5-2-6-10-14)17(15)20-19(23)21(18)13-7-3-1-4-8-13/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2,(H,20,23)/t16-/m1/s1.
What are the key properties of (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 326.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 51700893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).