N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C17H22N8 — CID 155800620

IUPACN,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc2c(N3CCN(c4nccc(N(C)C)n4)CC3)nccn2n1
InChIInChI=1S/C17H22N8/c1-13-12-14-16(18-6-7-25(14)21-13)23-8-10-24(11-9-23)17-19-5-4-15(20-17)22(2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyJZDLPHVUWSJKKQ-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.22
Rot. Bonds3

About N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 155800620) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID155800620
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cc2c(N3CCN(c4nccc(N(C)C)n4)CC3)nccn2n1
InChIInChI=1S/C17H22N8/c1-13-12-14-16(18-6-7-25(14)21-13)23-8-10-24(11-9-23)17-19-5-4-15(20-17)22(2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyJZDLPHVUWSJKKQ-UHFFFAOYSA-N
XLogP1.22
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-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-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 155800620) is N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine is Cc1cc2c(N3CCN(c4nccc(N(C)C)n4)CC3)nccn2n1.
What is the InChIKey of N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is JZDLPHVUWSJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-13-12-14-16(18-6-7-25(14)21-13)23-8-10-24(11-9-23)17-19-5-4-15(20-17)22(2)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 155800620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).