N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine

C15H15F2N5O3 — CID 2911194

IUPACN-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine
SMILESCc1nc(N2CCOCC2)nc(Nc2ccc(F)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15F2N5O3/c1-9-13(22(23)24)14(19-12-3-2-10(16)8-11(12)17)20-15(18-9)21-4-6-25-7-5-21/h2-3,8H,4-7H2,1H3,(H,18,19,20)
InChIKeyYHAQZMZRZCFCBB-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.55
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine

N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine (PubChem CID 2911194) has the molecular formula C15H15F2N5O3 and a molecular weight of 351.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine
PubChem CID2911194
Molecular FormulaC15H15F2N5O3
Molecular Weight351.31 g/mol
Exact Mass351.11
IUPAC NameN-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine
SMILESCc1nc(N2CCOCC2)nc(Nc2ccc(F)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15F2N5O3/c1-9-13(22(23)24)14(19-12-3-2-10(16)8-11(12)17)20-15(18-9)21-4-6-25-7-5-21/h2-3,8H,4-7H2,1H3,(H,18,19,20)
InChIKeyYHAQZMZRZCFCBB-UHFFFAOYSA-N
XLogP2.55
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine (CID 2911194) is N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine is Cc1nc(N2CCOCC2)nc(Nc2ccc(F)cc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
The InChIKey is YHAQZMZRZCFCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O3/c1-9-13(22(23)24)14(19-12-3-2-10(16)8-11(12)17)20-15(18-9)21-4-6-25-7-5-21/h2-3,8H,4-7H2,1H3,(H,18,19,20).
What are the key properties of N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine has a molecular weight of 351.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 2911194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).