N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

C22H33N5O — CID 71451908

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H33N5O/c1-4-26(5-2)15-16-28-20-11-9-19(10-12-20)24-22-23-18(3)17-21(25-22)27-13-7-6-8-14-27/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24,25)
InChIKeyVNNYJZCLVZACQR-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.24
Rot. Bonds9

About N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 71451908) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID71451908
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(CC)CCOc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H33N5O/c1-4-26(5-2)15-16-28-20-11-9-19(10-12-20)24-22-23-18(3)17-21(25-22)27-13-7-6-8-14-27/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24,25)
InChIKeyVNNYJZCLVZACQR-UHFFFAOYSA-N
XLogP4.24
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 142745751
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-pentoxybenzamide
CID 122287620
4-[4-(2-cyclohexylethoxy)phenyl]-N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methylpyrimidin-2-amine
CID 71450100
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
ethyl 4-[2-(4-ethoxyanilino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923322
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112930929
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-oxocyclohexane-1-carboxamide
CID 122287632
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287923

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine (CID 71451908) is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is CCN(CC)CCOc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is VNNYJZCLVZACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-4-26(5-2)15-16-28-20-11-9-19(10-12-20)24-22-23-18(3)17-21(25-22)27-13-7-6-8-14-27/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,24,25).
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine?
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 383.54 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 71451908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).