N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C18H24N4 — CID 112933620

IUPACN-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCCNc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-2-3-11-19-18-20-16(15-9-5-4-6-10-15)14-17(21-18)22-12-7-8-13-22/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,19,20,21)
InChIKeyLAAANYPUFWXYOA-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.96
Rot. Bonds6

About N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112933620) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112933620
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCCNc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-2-3-11-19-18-20-16(15-9-5-4-6-10-15)14-17(21-18)22-12-7-8-13-22/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,19,20,21)
InChIKeyLAAANYPUFWXYOA-UHFFFAOYSA-N
XLogP3.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
N-[2-(3-methoxyphenyl)ethyl]-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934109
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
CID 112932556
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenylpyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112936186
N-(2-methoxyethyl)-4-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112935030
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922177

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112933620) is N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is CCCCNc1nc(-c2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is LAAANYPUFWXYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-3-11-19-18-20-16(15-9-5-4-6-10-15)14-17(21-18)22-12-7-8-13-22/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,19,20,21).
What are the key properties of N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112933620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).