2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine

C15H17N5O3 — CID 174661046

IUPAC2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine
SMILESCc1ncc(C2CNCCO2)c(Nc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H17N5O3/c1-10-17-8-11(14-9-16-6-7-23-14)15(18-10)19-12-4-2-3-5-13(12)20(21)22/h2-5,8,14,16H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyMBBJWQJFTNQOCR-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine

2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine (PubChem CID 174661046) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine
PubChem CID174661046
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine
SMILESCc1ncc(C2CNCCO2)c(Nc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H17N5O3/c1-10-17-8-11(14-9-16-6-7-23-14)15(18-10)19-12-4-2-3-5-13(12)20(21)22/h2-5,8,14,16H,6-7,9H2,1H3,(H,17,18,19)
InChIKeyMBBJWQJFTNQOCR-UHFFFAOYSA-N
XLogP2.10
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine (CID 174661046) is 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine is Cc1ncc(C2CNCCO2)c(Nc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine?
The InChIKey is MBBJWQJFTNQOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10-17-8-11(14-9-16-6-7-23-14)15(18-10)19-12-4-2-3-5-13(12)20(21)22/h2-5,8,14,16H,6-7,9H2,1H3,(H,17,18,19).
What are the key properties of 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine?
2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine has a molecular weight of 315.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-2-yl-N-(2-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 174661046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).