N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

C16H25N7 — CID 166604642

IUPACN,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccnn3C)CC2)nc(N(C)C)n1
InChIInChI=1S/C16H25N7/c1-13-11-15(19-16(18-13)20(2)3)23-9-7-22(8-10-23)12-14-5-6-17-21(14)4/h5-6,11H,7-10,12H2,1-4H3
InChIKeyDIUPXLOIAVMBER-UHFFFAOYSA-N
MW315.43 g/mol
LogP0.91
Rot. Bonds4

About N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 166604642) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID166604642
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC NameN,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccnn3C)CC2)nc(N(C)C)n1
InChIInChI=1S/C16H25N7/c1-13-11-15(19-16(18-13)20(2)3)23-9-7-22(8-10-23)12-14-5-6-17-21(14)4/h5-6,11H,7-10,12H2,1-4H3
InChIKeyDIUPXLOIAVMBER-UHFFFAOYSA-N
XLogP0.91
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 166604642) is N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccnn3C)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is DIUPXLOIAVMBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-13-11-15(19-16(18-13)20(2)3)23-9-7-22(8-10-23)12-14-5-6-17-21(14)4/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 315.43 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 166604642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).