1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine

C19H19N5 — CID 139953901

IUPAC1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine
SMILESCN(C)/C(N)=N\c1nccc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H19N5/c1-24(2)18(20)23-19-21-13-12-17(22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,20,21,22,23)
InChIKeySXMFBXSFZYCRIF-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.32
Rot. Bonds3

About 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine

1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine (PubChem CID 139953901) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine
PubChem CID139953901
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine
SMILESCN(C)/C(N)=N\c1nccc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H19N5/c1-24(2)18(20)23-19-21-13-12-17(22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,20,21,22,23)
InChIKeySXMFBXSFZYCRIF-UHFFFAOYSA-N
XLogP3.32
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-phenylpyrimidine-2-carboxamide
CID 68541218
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235716
2,4-diphenylpyrimidine;yttrium
CID 59738567
N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine
CID 158755006
4-phenylpyrimidine-2-thiolate
CID 143883360
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
[4-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
CID 141068619
2-methyl-4-(4-phenylpyrimidin-2-yl)butan-2-amine
CID 116898451
3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 11523191
2,4-diphenylpyrimidine;triphenylene
CID 175536318

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine (CID 139953901) is 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine is CN(C)/C(N)=N\c1nccc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine?
The InChIKey is SXMFBXSFZYCRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-24(2)18(20)23-19-21-13-12-17(22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,20,21,22,23).
What are the key properties of 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine?
1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine has a molecular weight of 317.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[4-(4-phenylphenyl)pyrimidin-2-yl]guanidine is sourced from PubChem (CID 139953901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).