4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine

C14H21ClN2O2 — CID 171723577

IUPAC4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(COCC2CCOCC2)n1
InChIInChI=1S/C14H21ClN2O2/c1-10(2)12-7-13(15)17-14(16-12)9-19-8-11-3-5-18-6-4-11/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyODEXMIYMPPVXIS-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.20
Rot. Bonds5

About 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine

4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine (PubChem CID 171723577) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine
PubChem CID171723577
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(COCC2CCOCC2)n1
InChIInChI=1S/C14H21ClN2O2/c1-10(2)12-7-13(15)17-14(16-12)9-19-8-11-3-5-18-6-4-11/h7,10-11H,3-6,8-9H2,1-2H3
InChIKeyODEXMIYMPPVXIS-UHFFFAOYSA-N
XLogP3.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine (CID 171723577) is 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(COCC2CCOCC2)n1.
What is the InChIKey of 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine?
The InChIKey is ODEXMIYMPPVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(2)12-7-13(15)17-14(16-12)9-19-8-11-3-5-18-6-4-11/h7,10-11H,3-6,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine has a molecular weight of 284.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-4-ylmethoxymethyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 171723577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).