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

C16H19N5O3 — CID 174661052

IUPAC2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C)c([N+](=O)[O-])c2)cc(C2CNCCO2)n1
InChIInChI=1S/C16H19N5O3/c1-10-3-4-12(7-14(10)21(22)23)20-16-8-13(18-11(2)19-16)15-9-17-5-6-24-15/h3-4,7-8,15,17H,5-6,9H2,1-2H3,(H,18,19,20)
InChIKeySTARKIUNZOJADM-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.41
Rot. Bonds4

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

2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine (PubChem CID 174661052) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine
PubChem CID174661052
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C)c([N+](=O)[O-])c2)cc(C2CNCCO2)n1
InChIInChI=1S/C16H19N5O3/c1-10-3-4-12(7-14(10)21(22)23)20-16-8-13(18-11(2)19-16)15-9-17-5-6-24-15/h3-4,7-8,15,17H,5-6,9H2,1-2H3,(H,18,19,20)
InChIKeySTARKIUNZOJADM-UHFFFAOYSA-N
XLogP2.41
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine
CID 174661046
1-methyl-N-(4-methyl-3-nitrophenyl)pyrazol-3-amine
CID 79779512
5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
CID 114047534
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N-[4-methyl-3-[[3-(4-methylpiperazin-1-yl)-2-nitrobenzoyl]amino]phenyl]-2-morpholin-2-ylpyridine-4-carboxamide
CID 174376004
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174523685
4-methyl-3-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62911788
2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
CID 103472615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine (CID 174661052) is 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine is Cc1nc(Nc2ccc(C)c([N+](=O)[O-])c2)cc(C2CNCCO2)n1.
What is the InChIKey of 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine?
The InChIKey is STARKIUNZOJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-3-4-12(7-14(10)21(22)23)20-16-8-13(18-11(2)19-16)15-9-17-5-6-24-15/h3-4,7-8,15,17H,5-6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine?
2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine has a molecular weight of 329.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-3-nitrophenyl)-6-morpholin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 174661052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).