2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine

C22H26N4 — CID 144817888

IUPAC2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine
SMILESCc1cc([C@H]2CCC2c2ccccc2)nc(C)n1.Cc1ccnc(C)n1
InChIInChI=1S/C16H18N2.C6H8N2/c1-11-10-16(18-12(2)17-11)15-9-8-14(15)13-6-4-3-5-7-13;1-5-3-4-7-6(2)8-5/h3-7,10,14-15H,8-9H2,1-2H3;3-4H,1-2H3/t14?,15-;/m0./s1
InChIKeyMERDWPCTIGOBKW-SCYKNNLXSA-N
MW346.48 g/mol
LogP4.85
Rot. Bonds2

About 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine

2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine (PubChem CID 144817888) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine
PubChem CID144817888
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine
SMILESCc1cc([C@H]2CCC2c2ccccc2)nc(C)n1.Cc1ccnc(C)n1
InChIInChI=1S/C16H18N2.C6H8N2/c1-11-10-16(18-12(2)17-11)15-9-8-14(15)13-6-4-3-5-7-13;1-5-3-4-7-6(2)8-5/h3-7,10,14-15H,8-9H2,1-2H3;3-4H,1-2H3/t14?,15-;/m0./s1
InChIKeyMERDWPCTIGOBKW-SCYKNNLXSA-N
XLogP4.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine?
The IUPAC name of 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine (CID 144817888) is 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine is Cc1cc([C@H]2CCC2c2ccccc2)nc(C)n1.Cc1ccnc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine?
The InChIKey is MERDWPCTIGOBKW-SCYKNNLXSA-N. The full InChI is InChI=1S/C16H18N2.C6H8N2/c1-11-10-16(18-12(2)17-11)15-9-8-14(15)13-6-4-3-5-7-13;1-5-3-4-7-6(2)8-5/h3-7,10,14-15H,8-9H2,1-2H3;3-4H,1-2H3/t14?,15-;/m0./s1.
What are the key properties of 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine?
2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine has a molecular weight of 346.48 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(1S)-2-phenylcyclobutyl]pyrimidine;2,4-dimethylpyrimidine is sourced from PubChem (CID 144817888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).