4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine

C16H20N4O — CID 112886384

IUPAC4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESc1ccc(CCNc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-16-18-9-7-15(19-16)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKeyOETVKKOWRDFLAU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds5

About 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine

4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 112886384) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID112886384
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESc1ccc(CCNc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-16-18-9-7-15(19-16)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKeyOETVKKOWRDFLAU-UHFFFAOYSA-N
XLogP1.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898736
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883847
4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 155812807
N-[2-(3-chlorophenyl)ethyl]-4-piperidin-1-ylpyrimidin-2-amine
CID 112884508
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine (CID 112886384) is 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine is c1ccc(CCNc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is OETVKKOWRDFLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-16-18-9-7-15(19-16)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19).
What are the key properties of 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine?
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112886384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).