1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea

C19H22FN5O — CID 71836298

IUPAC1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(F)c1)NC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C19H22FN5O/c20-14-4-1-3-13(9-14)10-21-19(26)24-15-7-8-25(11-15)18-16-5-2-6-17(16)22-12-23-18/h1,3-4,9,12,15H,2,5-8,10-11H2,(H2,21,24,26)
InChIKeyLLPWTAMJFMTBDS-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea

1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea (PubChem CID 71836298) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea
PubChem CID71836298
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(F)c1)NC1CCN(c2ncnc3c2CCC3)C1
InChIInChI=1S/C19H22FN5O/c20-14-4-1-3-13(9-14)10-21-19(26)24-15-7-8-25(11-15)18-16-5-2-6-17(16)22-12-23-18/h1,3-4,9,12,15H,2,5-8,10-11H2,(H2,21,24,26)
InChIKeyLLPWTAMJFMTBDS-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea (CID 71836298) is 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea is O=C(NCc1cccc(F)c1)NC1CCN(c2ncnc3c2CCC3)C1.
What is the InChIKey of 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is LLPWTAMJFMTBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-14-4-1-3-13(9-14)10-21-19(26)24-15-7-8-25(11-15)18-16-5-2-6-17(16)22-12-23-18/h1,3-4,9,12,15H,2,5-8,10-11H2,(H2,21,24,26).
What are the key properties of 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea?
1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 355.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 71836298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).