N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine

C22H33N5O — CID 142745751

IUPACN-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(CC)CCCOc1ccc(Nc2nccc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H33N5O/c1-3-26(4-2)15-8-18-28-20-11-9-19(10-12-20)24-22-23-14-13-21(25-22)27-16-6-5-7-17-27/h9-14H,3-8,15-18H2,1-2H3,(H,23,24,25)
InChIKeyNDPPPLHWUXWYAH-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.32
Rot. Bonds10

About N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine

N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 142745751) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID142745751
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine
SMILESCCN(CC)CCCOc1ccc(Nc2nccc(N3CCCCC3)n2)cc1
InChIInChI=1S/C22H33N5O/c1-3-26(4-2)15-8-18-28-20-11-9-19(10-12-20)24-22-23-14-13-21(25-22)27-16-6-5-7-17-27/h9-14H,3-8,15-18H2,1-2H3,(H,23,24,25)
InChIKeyNDPPPLHWUXWYAH-UHFFFAOYSA-N
XLogP4.32
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 71451908
4-N,4-N-diethyl-1-N-(4-piperidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112884574
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943
N-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884582
4-N,4-N-diethyl-2-N-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 142745777
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
4-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 112888331
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine (CID 142745751) is N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine is CCN(CC)CCCOc1ccc(Nc2nccc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is NDPPPLHWUXWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-3-26(4-2)15-8-18-28-20-11-9-19(10-12-20)24-22-23-14-13-21(25-22)27-16-6-5-7-17-27/h9-14H,3-8,15-18H2,1-2H3,(H,23,24,25).
What are the key properties of N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine?
N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 383.54 g/mol, XLogP of 4.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propoxy]phenyl]-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 142745751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).