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

C19H26N4 — CID 112934269

IUPACN-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCCCCNc1cc(-c2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C19H26N4/c1-2-3-7-12-20-18-15-17(16-10-5-4-6-11-16)21-19(22-18)23-13-8-9-14-23/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,20,21,22)
InChIKeyCPRWHFKVCRMLIC-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.35
Rot. Bonds7

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

N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112934269) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112934269
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCCCCNc1cc(-c2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C19H26N4/c1-2-3-7-12-20-18-15-17(16-10-5-4-6-11-16)21-19(22-18)23-13-8-9-14-23/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,20,21,22)
InChIKeyCPRWHFKVCRMLIC-UHFFFAOYSA-N
XLogP4.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.35
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

2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
CID 112934781
N-butyl-2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-amine
CID 112933585
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]propane-1,3-diamine
CID 112936106

Frequently Asked Questions

What is the IUPAC name of N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112934269) is N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is CCCCCNc1cc(-c2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is CPRWHFKVCRMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-3-7-12-20-18-15-17(16-10-5-4-6-11-16)21-19(22-18)23-13-8-9-14-23/h4-6,10-11,15H,2-3,7-9,12-14H2,1H3,(H,20,21,22).
What are the key properties of N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112934269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).