N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine

C19H22N8 — CID 136545958

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine
SMILESCc1cc(N2CCC(Nc3nccc(-c4cnccn4)n3)CC2)nc(C)n1
InChIInChI=1S/C19H22N8/c1-13-11-18(24-14(2)23-13)27-9-4-15(5-10-27)25-19-22-6-3-16(26-19)17-12-20-7-8-21-17/h3,6-8,11-12,15H,4-5,9-10H2,1-2H3,(H,22,25,26)
InChIKeyOMNQLUPNTAVSSA-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 136545958) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine
PubChem CID136545958
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine
SMILESCc1cc(N2CCC(Nc3nccc(-c4cnccn4)n3)CC2)nc(C)n1
InChIInChI=1S/C19H22N8/c1-13-11-18(24-14(2)23-13)27-9-4-15(5-10-27)25-19-22-6-3-16(26-19)17-12-20-7-8-21-17/h3,6-8,11-12,15H,4-5,9-10H2,1-2H3,(H,22,25,26)
InChIKeyOMNQLUPNTAVSSA-UHFFFAOYSA-N
XLogP2.42
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine (CID 136545958) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine is Cc1cc(N2CCC(Nc3nccc(-c4cnccn4)n3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is OMNQLUPNTAVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-13-11-18(24-14(2)23-13)27-9-4-15(5-10-27)25-19-22-6-3-16(26-19)17-12-20-7-8-21-17/h3,6-8,11-12,15H,4-5,9-10H2,1-2H3,(H,22,25,26).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 362.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 136545958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).