4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C19H27N5O — CID 162627933

IUPAC4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C19H27N5O/c1-23(2)17-6-4-16(5-7-17)18-8-10-21-19(22-18)20-9-3-11-24-12-14-25-15-13-24/h4-8,10H,3,9,11-15H2,1-2H3,(H,20,21,22)
InChIKeyLCTTWUBDMOGQPD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.34
Rot. Bonds7

About 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 162627933) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID162627933
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(NCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C19H27N5O/c1-23(2)17-6-4-16(5-7-17)18-8-10-21-19(22-18)20-9-3-11-24-12-14-25-15-13-24/h4-8,10H,3,9,11-15H2,1-2H3,(H,20,21,22)
InChIKeyLCTTWUBDMOGQPD-UHFFFAOYSA-N
XLogP2.34
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.34
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

4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbothioamide
CID 107546554
4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 129071969
N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 162626179
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
methyl 4-[[[4-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]amino]methyl]benzoate
CID 58930518
4-[4-(dimethylamino)phenyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 162627454
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 162627933) is 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is CN(C)c1ccc(-c2ccnc(NCCCN3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is LCTTWUBDMOGQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(2)17-6-4-16(5-7-17)18-8-10-21-19(22-18)20-9-3-11-24-12-14-25-15-13-24/h4-8,10H,3,9,11-15H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 162627933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).