4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

C20H25N3O — CID 118723351

IUPAC4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESc1ccc(-c2nc(OCCCN3CCCC3)cc(C3CC3)n2)cc1
InChIInChI=1S/C20H25N3O/c1-2-7-17(8-3-1)20-21-18(16-9-10-16)15-19(22-20)24-14-6-13-23-11-4-5-12-23/h1-3,7-8,15-16H,4-6,9-14H2
InChIKeyOTMDRDOTPQQERQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.89
Rot. Bonds7

About 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (PubChem CID 118723351) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
PubChem CID118723351
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESc1ccc(-c2nc(OCCCN3CCCC3)cc(C3CC3)n2)cc1
InChIInChI=1S/C20H25N3O/c1-2-7-17(8-3-1)20-21-18(16-9-10-16)15-19(22-20)24-14-6-13-23-11-4-5-12-23/h1-3,7-8,15-16H,4-6,9-14H2
InChIKeyOTMDRDOTPQQERQ-UHFFFAOYSA-N
XLogP3.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-ethylpiperazin-1-yl)propoxy]-6-methyl-2-phenylpyrimidine
CID 118722997
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
4-methyl-2-phenyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]pyrimidine
CID 118723000
2-methyl-4-phenyl-6-(3-piperidin-1-ylpropoxy)-1,3,5-triazine
CID 21256754
2-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-5,6,7,8-tetrahydroquinazoline
CID 118723359
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
1-[3-(3-cyclopropylphenoxy)propyl]pyrrolidine
CID 91040173
2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712215
oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 71711797
2-phenyl-4-[4-(2-phenyl-6-propylpyrimidin-4-yl)oxybutoxy]-6-propylpyrimidine
CID 74538841
[2-cyclopropyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80980380

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (CID 118723351) is 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is c1ccc(-c2nc(OCCCN3CCCC3)cc(C3CC3)n2)cc1.
What is the InChIKey of 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The InChIKey is OTMDRDOTPQQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-7-17(8-3-1)20-21-18(16-9-10-16)15-19(22-20)24-14-6-13-23-11-4-5-12-23/h1-3,7-8,15-16H,4-6,9-14H2.
What are the key properties of 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine has a molecular weight of 323.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).