[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol

C11H15ClN4O4 — CID 114777961

IUPAC[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ncnc(Cl)c2[N+](=O)[O-])CC(CO)O1
InChIInChI=1S/C11H15ClN4O4/c1-11(2)5-15(3-7(4-17)20-11)10-8(16(18)19)9(12)13-6-14-10/h6-7,17H,3-5H2,1-2H3
InChIKeyRVGXZKYIAMWBTD-UHFFFAOYSA-N
MW302.72 g/mol
LogP1.01
Rot. Bonds3

About [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777961) has the molecular formula C11H15ClN4O4 and a molecular weight of 302.72 g/mol. Its IUPAC name is [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777961
Molecular FormulaC11H15ClN4O4
Molecular Weight302.72 g/mol
Exact Mass302.08
IUPAC Name[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ncnc(Cl)c2[N+](=O)[O-])CC(CO)O1
InChIInChI=1S/C11H15ClN4O4/c1-11(2)5-15(3-7(4-17)20-11)10-8(16(18)19)9(12)13-6-14-10/h6-7,17H,3-5H2,1-2H3
InChIKeyRVGXZKYIAMWBTD-UHFFFAOYSA-N
XLogP1.01
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.01
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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Related Compounds

4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
4-(6-chloro-5-nitropyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745056
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
[1-(6-chloro-5-nitropyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627029
[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706
[4-(4-chloro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779472
[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
CID 114782729
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777898
[4-(4-chloro-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779331
[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782771
1-[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836974
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114777961) is [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2ncnc(Cl)c2[N+](=O)[O-])CC(CO)O1.
What is the InChIKey of [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is RVGXZKYIAMWBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O4/c1-11(2)5-15(3-7(4-17)20-11)10-8(16(18)19)9(12)13-6-14-10/h6-7,17H,3-5H2,1-2H3.
What are the key properties of [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 302.72 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).