2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile

C24H26N4O4 — CID 158847229

IUPAC2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(OC(C)C)n1)C(C#N)=CC2
InChIInChI=1S/C24H26N4O4/c1-15(2)32-23-22-18(14-25)6-7-19(22)26-21(27-23)13-16-4-5-17(12-20(16)30-3)24(29)28-8-10-31-11-9-28/h4-6,12,15H,7-11,13H2,1-3H3
InChIKeyIYZHOJXKRRBPRF-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.80
Rot. Bonds6

About 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile

2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile (PubChem CID 158847229) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile
PubChem CID158847229
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(OC(C)C)n1)C(C#N)=CC2
InChIInChI=1S/C24H26N4O4/c1-15(2)32-23-22-18(14-25)6-7-19(22)26-21(27-23)13-16-4-5-17(12-20(16)30-3)24(29)28-8-10-31-11-9-28/h4-6,12,15H,7-11,13H2,1-3H3
InChIKeyIYZHOJXKRRBPRF-UHFFFAOYSA-N
XLogP2.80
TPSA97.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 148890116
2-[[4-(4,4-difluoropiperidine-1-carbonyl)-2-methoxyphenyl]methyl]-4-(ethylamino)-7H-cyclopenta[b]pyridine-5-carbonitrile
CID 161347675
[4-[[4-[[(2S)-butan-2-yl]amino]-5-chloro-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 159261413
[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 160761259
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
[4-[[7-chloro-4-(methylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 162111192
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[3-methoxy-4-[[4-(propan-2-ylamino)-5-(trifluoromethyl)-7H-cyclopenta[b]pyridin-2-yl]methyl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 159258768
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile (CID 158847229) is 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile is COc1cc(C(=O)N2CCOCC2)ccc1Cc1nc2c(c(OC(C)C)n1)C(C#N)=CC2.
What is the InChIKey of 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
The InChIKey is IYZHOJXKRRBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15(2)32-23-22-18(14-25)6-7-19(22)26-21(27-23)13-16-4-5-17(12-20(16)30-3)24(29)28-8-10-31-11-9-28/h4-6,12,15H,7-11,13H2,1-3H3.
What are the key properties of 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile?
2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile has a molecular weight of 434.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 158847229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).