6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine

C17H22ClN5 — CID 94496003

IUPAC6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
SMILESC[C@H](CNc1cncc(Cl)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H22ClN5/c1-14(11-20-17-13-19-12-16(18)21-17)22-7-9-23(10-8-22)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyBFYYVQSKMOOSPC-CQSZACIVSA-N
MW331.85 g/mol
LogP2.75
Rot. Bonds5

About 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine

6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine (PubChem CID 94496003) has the molecular formula C17H22ClN5 and a molecular weight of 331.85 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
PubChem CID94496003
Molecular FormulaC17H22ClN5
Molecular Weight331.85 g/mol
Exact Mass331.16
IUPAC Name6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
SMILESC[C@H](CNc1cncc(Cl)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H22ClN5/c1-14(11-20-17-13-19-12-16(18)21-17)22-7-9-23(10-8-22)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyBFYYVQSKMOOSPC-CQSZACIVSA-N
XLogP2.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine (CID 94496003) is 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine is C[C@H](CNc1cncc(Cl)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
The InChIKey is BFYYVQSKMOOSPC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN5/c1-14(11-20-17-13-19-12-16(18)21-17)22-7-9-23(10-8-22)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine?
6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine has a molecular weight of 331.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 94496003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).