4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine

C15H17N5O4 — CID 53317586

IUPAC4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine
SMILESNc1nc(OCc2ccccc2)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C15H17N5O4/c16-15-17-13(19-6-8-23-9-7-19)12(20(21)22)14(18-15)24-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18)
InChIKeyGNZZLMIWYFLHPN-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.38
Rot. Bonds5

About 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine

4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine (PubChem CID 53317586) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine
PubChem CID53317586
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine
SMILESNc1nc(OCc2ccccc2)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C15H17N5O4/c16-15-17-13(19-6-8-23-9-7-19)12(20(21)22)14(18-15)24-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18)
InChIKeyGNZZLMIWYFLHPN-UHFFFAOYSA-N
XLogP1.38
TPSA116.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine (CID 53317586) is 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine is Nc1nc(OCc2ccccc2)c([N+](=O)[O-])c(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine?
The InChIKey is GNZZLMIWYFLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c16-15-17-13(19-6-8-23-9-7-19)12(20(21)22)14(18-15)24-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18).
What are the key properties of 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine?
4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine has a molecular weight of 331.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-5-nitro-6-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 53317586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).