5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine

C15H20N6 — CID 97209848

IUPAC5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine
SMILESCc1ncnc(N[C@H]2CCCN(c3cnccn3)C2)c1C
InChIInChI=1S/C15H20N6/c1-11-12(2)18-10-19-15(11)20-13-4-3-7-21(9-13)14-8-16-5-6-17-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyHILNUEIYABPBJT-ZDUSSCGKSA-N
MW284.37 g/mol
LogP1.96
Rot. Bonds3

About 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine

5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine (PubChem CID 97209848) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine
PubChem CID97209848
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine
SMILESCc1ncnc(N[C@H]2CCCN(c3cnccn3)C2)c1C
InChIInChI=1S/C15H20N6/c1-11-12(2)18-10-19-15(11)20-13-4-3-7-21(9-13)14-8-16-5-6-17-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyHILNUEIYABPBJT-ZDUSSCGKSA-N
XLogP1.96
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine (CID 97209848) is 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine is Cc1ncnc(N[C@H]2CCCN(c3cnccn3)C2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine?
The InChIKey is HILNUEIYABPBJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-12(2)18-10-19-15(11)20-13-4-3-7-21(9-13)14-8-16-5-6-17-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine?
5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine has a molecular weight of 284.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97209848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).