4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine

C15H17ClN2O — CID 14196529

IUPAC4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine
SMILESCc1nc(Cl)c(OCc2ccccc2)c(C(C)C)n1
InChIInChI=1S/C15H17ClN2O/c1-10(2)13-14(15(16)18-11(3)17-13)19-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyMXQDYSRLPLZYIO-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.14
Rot. Bonds4

About 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine

4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine (PubChem CID 14196529) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine
PubChem CID14196529
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine
SMILESCc1nc(Cl)c(OCc2ccccc2)c(C(C)C)n1
InChIInChI=1S/C15H17ClN2O/c1-10(2)13-14(15(16)18-11(3)17-13)19-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyMXQDYSRLPLZYIO-UHFFFAOYSA-N
XLogP4.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine (CID 14196529) is 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine is Cc1nc(Cl)c(OCc2ccccc2)c(C(C)C)n1.
What is the InChIKey of 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine?
The InChIKey is MXQDYSRLPLZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(2)13-14(15(16)18-11(3)17-13)19-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine?
4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-phenylmethoxy-6-propan-2-ylpyrimidine is sourced from PubChem (CID 14196529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).