3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine

C15H21N7O — CID 133475816

IUPAC3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
SMILESCOc1cc(N2CCN(c3nccnc3N(C)C)CC2)ncn1
InChIInChI=1S/C15H21N7O/c1-20(2)14-15(17-5-4-16-14)22-8-6-21(7-9-22)12-10-13(23-3)19-11-18-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyCWFZVTZMCNATPK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.67
Rot. Bonds4

About 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine

3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine (PubChem CID 133475816) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
PubChem CID133475816
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine
SMILESCOc1cc(N2CCN(c3nccnc3N(C)C)CC2)ncn1
InChIInChI=1S/C15H21N7O/c1-20(2)14-15(17-5-4-16-14)22-8-6-21(7-9-22)12-10-13(23-3)19-11-18-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyCWFZVTZMCNATPK-UHFFFAOYSA-N
XLogP0.67
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine (CID 133475816) is 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine is COc1cc(N2CCN(c3nccnc3N(C)C)CC2)ncn1.
What is the InChIKey of 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is CWFZVTZMCNATPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-20(2)14-15(17-5-4-16-14)22-8-6-21(7-9-22)12-10-13(23-3)19-11-18-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine?
3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 315.38 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 133475816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).