[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone

C23H27ClN4O3 — CID 148890116

IUPAC[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCCCNc1nc(Cc2ccc(C(=O)N3CCOCC3)cc2OC)nc2c1C(Cl)=CC2
InChIInChI=1S/C23H27ClN4O3/c1-3-8-25-22-21-17(24)6-7-18(21)26-20(27-22)14-15-4-5-16(13-19(15)30-2)23(29)28-9-11-31-12-10-28/h4-6,13H,3,7-12,14H2,1-2H3,(H,25,26,27)
InChIKeyPETCXKXAPFHWPJ-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.51
Rot. Bonds7

About [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone

[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 148890116) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID148890116
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCCCNc1nc(Cc2ccc(C(=O)N3CCOCC3)cc2OC)nc2c1C(Cl)=CC2
InChIInChI=1S/C23H27ClN4O3/c1-3-8-25-22-21-17(24)6-7-18(21)26-20(27-22)14-15-4-5-16(13-19(15)30-2)23(29)28-9-11-31-12-10-28/h4-6,13H,3,7-12,14H2,1-2H3,(H,25,26,27)
InChIKeyPETCXKXAPFHWPJ-UHFFFAOYSA-N
XLogP3.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 160761259
[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-[[7-chloro-4-(methylamino)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 162111192
2-[[2-methoxy-4-(morpholine-4-carbonyl)phenyl]methyl]-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidine-5-carbonitrile
CID 158847229
[4-[[5-chloro-4-(2-methoxyethylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 58539261
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
(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
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
2-[[4-(4,4-difluoropiperidine-1-carbonyl)-2-methoxyphenyl]methyl]-4-(ethylamino)-7H-cyclopenta[b]pyridine-5-carbonitrile
CID 161347675
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761

Frequently Asked Questions

What is the IUPAC name of [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone (CID 148890116) is [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone is CCCNc1nc(Cc2ccc(C(=O)N3CCOCC3)cc2OC)nc2c1C(Cl)=CC2.
What is the InChIKey of [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is PETCXKXAPFHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-3-8-25-22-21-17(24)6-7-18(21)26-20(27-22)14-15-4-5-16(13-19(15)30-2)23(29)28-9-11-31-12-10-28/h4-6,13H,3,7-12,14H2,1-2H3,(H,25,26,27).
What are the key properties of [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone?
[4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 442.95 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-chloro-4-(propylamino)-7H-cyclopenta[d]pyrimidin-2-yl]methyl]-3-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 148890116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).