2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

C15H21N7O — CID 154575537

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCOc1ccnc(N2CCN(c3nccc(N(C)C)n3)CC2)n1
InChIInChI=1S/C15H21N7O/c1-20(2)12-4-6-16-14(18-12)21-8-10-22(11-9-21)15-17-7-5-13(19-15)23-3/h4-7H,8-11H2,1-3H3
InChIKeyLAEMNCGHMSJOKE-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.67
Rot. Bonds4

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 154575537) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
PubChem CID154575537
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
SMILESCOc1ccnc(N2CCN(c3nccc(N(C)C)n3)CC2)n1
InChIInChI=1S/C15H21N7O/c1-20(2)12-4-6-16-14(18-12)21-8-10-22(11-9-21)15-17-7-5-13(19-15)23-3/h4-7H,8-11H2,1-3H3
InChIKeyLAEMNCGHMSJOKE-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 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine (CID 154575537) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is COc1ccnc(N2CCN(c3nccc(N(C)C)n3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is LAEMNCGHMSJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-20(2)12-4-6-16-14(18-12)21-8-10-22(11-9-21)15-17-7-5-13(19-15)23-3/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-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 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 154575537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).