2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol

C18H24N4O2 — CID 3565841

IUPAC2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
SMILESCc1cc(NCCCN2CCOCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H24N4O2/c1-14-13-17(19-7-4-8-22-9-11-24-12-10-22)21-18(20-14)15-5-2-3-6-16(15)23/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,19,20,21)
InChIKeyMDVRXUVWGVVRJT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol

2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol (PubChem CID 3565841) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
PubChem CID3565841
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
SMILESCc1cc(NCCCN2CCOCC2)nc(-c2ccccc2O)n1
InChIInChI=1S/C18H24N4O2/c1-14-13-17(19-7-4-8-22-9-11-24-12-10-22)21-18(20-14)15-5-2-3-6-16(15)23/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,19,20,21)
InChIKeyMDVRXUVWGVVRJT-UHFFFAOYSA-N
XLogP2.29
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-6-(3-pyrrol-1-ylpropylamino)pyrimidin-2-yl]phenol
CID 137293753
6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 117080926
2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
CID 137306796
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide
CID 136803213
6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 67328297
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4534225
2-chloro-6-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrimidin-4-amine
CID 53491181
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol (CID 3565841) is 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol is Cc1cc(NCCCN2CCOCC2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol?
The InChIKey is MDVRXUVWGVVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-13-17(19-7-4-8-22-9-11-24-12-10-22)21-18(20-14)15-5-2-3-6-16(15)23/h2-3,5-6,13,23H,4,7-12H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol?
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol has a molecular weight of 328.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol is sourced from PubChem (CID 3565841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).