N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide

C12H17ClN4O2 — CID 89017463

IUPACN-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide
SMILESCCc1c(Cl)nc(N2CCOCC2)nc1N(C)C=O
InChIInChI=1S/C12H17ClN4O2/c1-3-9-10(13)14-12(15-11(9)16(2)8-18)17-4-6-19-7-5-17/h8H,3-7H2,1-2H3
InChIKeyCJDDDDNCRIKBPW-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.12
Rot. Bonds4

About N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide

N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide (PubChem CID 89017463) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide
PubChem CID89017463
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide
SMILESCCc1c(Cl)nc(N2CCOCC2)nc1N(C)C=O
InChIInChI=1S/C12H17ClN4O2/c1-3-9-10(13)14-12(15-11(9)16(2)8-18)17-4-6-19-7-5-17/h8H,3-7H2,1-2H3
InChIKeyCJDDDDNCRIKBPW-UHFFFAOYSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide?
The IUPAC name of N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide (CID 89017463) is N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide.
What is the SMILES notation for N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide?
The canonical SMILES for N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide is CCc1c(Cl)nc(N2CCOCC2)nc1N(C)C=O.
What is the InChIKey of N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide?
The InChIKey is CJDDDDNCRIKBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-3-9-10(13)14-12(15-11(9)16(2)8-18)17-4-6-19-7-5-17/h8H,3-7H2,1-2H3.
What are the key properties of N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide?
N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide has a molecular weight of 284.75 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide is sourced from PubChem (CID 89017463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).