6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine

C15H19N5 — CID 151856049

IUPAC6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine
SMILESCc1ccccc1Nc1cncc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C15H19N5/c1-11-4-2-3-5-13(11)19-15-10-17-9-14(20-15)18-12-6-7-16-8-12/h2-5,9-10,12,16H,6-8H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeySJRZJYXZTXJKFZ-GFCCVEGCSA-N
MW269.35 g/mol
LogP2.30
Rot. Bonds4

About 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine

6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine (PubChem CID 151856049) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine
PubChem CID151856049
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine
SMILESCc1ccccc1Nc1cncc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C15H19N5/c1-11-4-2-3-5-13(11)19-15-10-17-9-14(20-15)18-12-6-7-16-8-12/h2-5,9-10,12,16H,6-8H2,1H3,(H2,18,19,20)/t12-/m1/s1
InChIKeySJRZJYXZTXJKFZ-GFCCVEGCSA-N
XLogP2.30
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine (CID 151856049) is 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine is Cc1ccccc1Nc1cncc(N[C@@H]2CCNC2)n1.
What is the InChIKey of 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine?
The InChIKey is SJRZJYXZTXJKFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-4-2-3-5-13(11)19-15-10-17-9-14(20-15)18-12-6-7-16-8-12/h2-5,9-10,12,16H,6-8H2,1H3,(H2,18,19,20)/t12-/m1/s1.
What are the key properties of 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine?
6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylphenyl)-2-N-[(3R)-pyrrolidin-3-yl]pyrazine-2,6-diamine is sourced from PubChem (CID 151856049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).