N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine

C16H22N6 — CID 110257047

IUPACN,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine
SMILESCc1cc(N2CCCC(c3nccnc3N(C)C)C2)ncn1
InChIInChI=1S/C16H22N6/c1-12-9-14(20-11-19-12)22-8-4-5-13(10-22)15-16(21(2)3)18-7-6-17-15/h6-7,9,11,13H,4-5,8,10H2,1-3H3
InChIKeyLXDHEQKRAASUIR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.03
Rot. Bonds3

About N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine

N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine (PubChem CID 110257047) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine
PubChem CID110257047
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine
SMILESCc1cc(N2CCCC(c3nccnc3N(C)C)C2)ncn1
InChIInChI=1S/C16H22N6/c1-12-9-14(20-11-19-12)22-8-4-5-13(10-22)15-16(21(2)3)18-7-6-17-15/h6-7,9,11,13H,4-5,8,10H2,1-3H3
InChIKeyLXDHEQKRAASUIR-UHFFFAOYSA-N
XLogP2.03
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine (CID 110257047) is N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine is Cc1cc(N2CCCC(c3nccnc3N(C)C)C2)ncn1.
What is the InChIKey of N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine?
The InChIKey is LXDHEQKRAASUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12-9-14(20-11-19-12)22-8-4-5-13(10-22)15-16(21(2)3)18-7-6-17-15/h6-7,9,11,13H,4-5,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine?
N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 110257047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).