2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C23H24N2O4 — CID 101176072

IUPAC2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1ccc(-c2nc3c(c(-c4ccc(OC)c(OC)c4)n2)CCC3)cc1OC
InChIInChI=1S/C23H24N2O4/c1-26-18-10-8-14(12-20(18)28-3)22-16-6-5-7-17(16)24-23(25-22)15-9-11-19(27-2)21(13-15)29-4/h8-13H,5-7H2,1-4H3
InChIKeyLMFAGKIQRCHBBZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.33
Rot. Bonds6

About 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 101176072) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID101176072
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1ccc(-c2nc3c(c(-c4ccc(OC)c(OC)c4)n2)CCC3)cc1OC
InChIInChI=1S/C23H24N2O4/c1-26-18-10-8-14(12-20(18)28-3)22-16-6-5-7-17(16)24-23(25-22)15-9-11-19(27-2)21(13-15)29-4/h8-13H,5-7H2,1-4H3
InChIKeyLMFAGKIQRCHBBZ-UHFFFAOYSA-N
XLogP4.33
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135830947
19-(3,4-dimethoxyphenyl)-15,16,18-triazatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),18-trien-14-one
CID 53473367
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 62202423
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
2-(3,4-dimethoxyphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477397
5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4-dithione
CID 5465895
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477149
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-3,4-dimethoxybenzamide
CID 5239068

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 101176072) is 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1ccc(-c2nc3c(c(-c4ccc(OC)c(OC)c4)n2)CCC3)cc1OC.
What is the InChIKey of 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is LMFAGKIQRCHBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-26-18-10-8-14(12-20(18)28-3)22-16-6-5-7-17(16)24-23(25-22)15-9-11-19(27-2)21(13-15)29-4/h8-13H,5-7H2,1-4H3.
What are the key properties of 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 392.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 101176072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).