N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C22H28N4 — CID 112934210

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESC1=C(CCNc2cc(-c3ccccc3)nc(N3CCCC3)n2)CCCC1
InChIInChI=1S/C22H28N4/c1-3-9-18(10-4-1)13-14-23-21-17-20(19-11-5-2-6-12-19)24-22(25-21)26-15-7-8-16-26/h2,5-6,9,11-12,17H,1,3-4,7-8,10,13-16H2,(H,23,24,25)
InChIKeyOLAUZJODGOOUFP-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.05
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112934210) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112934210
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESC1=C(CCNc2cc(-c3ccccc3)nc(N3CCCC3)n2)CCCC1
InChIInChI=1S/C22H28N4/c1-3-9-18(10-4-1)13-14-23-21-17-20(19-11-5-2-6-12-19)24-22(25-21)26-15-7-8-16-26/h2,5-6,9,11-12,17H,1,3-4,7-8,10,13-16H2,(H,23,24,25)
InChIKeyOLAUZJODGOOUFP-UHFFFAOYSA-N
XLogP5.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
4-N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112934815
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 4670469
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
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
1-[4-[4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112911054
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112911109
N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855638
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880214

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112934210) is N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is C1=C(CCNc2cc(-c3ccccc3)nc(N3CCCC3)n2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is OLAUZJODGOOUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-3-9-18(10-4-1)13-14-23-21-17-20(19-11-5-2-6-12-19)24-22(25-21)26-15-7-8-16-26/h2,5-6,9,11-12,17H,1,3-4,7-8,10,13-16H2,(H,23,24,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 348.49 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112934210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).