2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine

C17H23N5O — CID 4193041

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H23N5O/c1-14-20-16(15-5-2-3-6-18-15)13-17(21-14)19-7-4-8-22-9-11-23-12-10-22/h2-3,5-6,13H,4,7-12H2,1H3,(H,19,20,21)
InChIKeyUELYHMOEKNSBGR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.98
Rot. Bonds6

About 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine

2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 4193041) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID4193041
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H23N5O/c1-14-20-16(15-5-2-3-6-18-15)13-17(21-14)19-7-4-8-22-9-11-23-12-10-22/h2-3,5-6,13H,4,7-12H2,1H3,(H,19,20,21)
InChIKeyUELYHMOEKNSBGR-UHFFFAOYSA-N
XLogP1.98
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.98
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-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4534225
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine
CID 154867730
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine (CID 4193041) is 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(NCCCN2CCOCC2)cc(-c2ccccn2)n1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is UELYHMOEKNSBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-20-16(15-5-2-3-6-18-15)13-17(21-14)19-7-4-8-22-9-11-23-12-10-22/h2-3,5-6,13H,4,7-12H2,1H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine?
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 313.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 4193041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).