5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine

C17H23N5O — CID 175907010

IUPAC5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(OCCN3CCNCC3)cc2)nc1
InChIInChI=1S/C17H23N5O/c1-14-12-19-17(20-13-14)21-15-2-4-16(5-3-15)23-11-10-22-8-6-18-7-9-22/h2-5,12-13,18H,6-11H2,1H3,(H,19,20,21)
InChIKeyDDXHGDBAHPLVCU-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.81
Rot. Bonds6

About 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine

5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine (PubChem CID 175907010) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine
PubChem CID175907010
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(OCCN3CCNCC3)cc2)nc1
InChIInChI=1S/C17H23N5O/c1-14-12-19-17(20-13-14)21-15-2-4-16(5-3-15)23-11-10-22-8-6-18-7-9-22/h2-5,12-13,18H,6-11H2,1H3,(H,19,20,21)
InChIKeyDDXHGDBAHPLVCU-UHFFFAOYSA-N
XLogP1.81
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]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

Related Compounds

1-[2-(4-methylphenoxy)ethyl]-1,4-diazepane
CID 43162601
4-N-[(2-aminophenyl)methyl]-2-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4,5-triamine
CID 162689430
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 42623141
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 11851598
4-(2-piperazin-1-ylethoxy)benzaldehyde
CID 23009909
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
2-chloro-6-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzenesulfonamide
CID 58748683
4-N-(4-chlorophenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 44815734
5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
1-(3-phenoxypropyl)piperazine
CID 2760351
4-N-(2-methyl-1H-indol-5-yl)-2-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 145496884

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine (CID 175907010) is 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine is Cc1cnc(Nc2ccc(OCCN3CCNCC3)cc2)nc1.
What is the InChIKey of 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is DDXHGDBAHPLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-12-19-17(20-13-14)21-15-2-4-16(5-3-15)23-11-10-22-8-6-18-7-9-22/h2-5,12-13,18H,6-11H2,1H3,(H,19,20,21).
What are the key properties of 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine?
5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 175907010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).