N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine

C14H16N4 — CID 133301489

IUPACN-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
SMILESc1ccc(NC2CCN(c3cnccn3)C2)cc1
InChIInChI=1S/C14H16N4/c1-2-4-12(5-3-1)17-13-6-9-18(11-13)14-10-15-7-8-16-14/h1-5,7-8,10,13,17H,6,9,11H2
InChIKeyBFAJQLZWSFWJQM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.17
Rot. Bonds3

About N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine

N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine (PubChem CID 133301489) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
PubChem CID133301489
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
SMILESc1ccc(NC2CCN(c3cnccn3)C2)cc1
InChIInChI=1S/C14H16N4/c1-2-4-12(5-3-1)17-13-6-9-18(11-13)14-10-15-7-8-16-14/h1-5,7-8,10,13,17H,6,9,11H2
InChIKeyBFAJQLZWSFWJQM-UHFFFAOYSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
N-phenyl-2-[4-(1-pyrazin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 43062241
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
5-methyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 97208898
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
(3R)-1-[4-(cyclopropylmethoxy)-2-pyridinyl]-N-phenylpiperidin-3-amine
CID 97349084
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine?
The IUPAC name of N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine (CID 133301489) is N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine is c1ccc(NC2CCN(c3cnccn3)C2)cc1.
What is the InChIKey of N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine?
The InChIKey is BFAJQLZWSFWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-4-12(5-3-1)17-13-6-9-18(11-13)14-10-15-7-8-16-14/h1-5,7-8,10,13,17H,6,9,11H2.
What are the key properties of N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine?
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine has a molecular weight of 240.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 133301489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).