N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine

C22H21N6P — CID 5304114

IUPACN-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H21N6P/c1-17-16-18(2)26-22(25-17)28-29(19-10-5-3-6-11-19,20-12-7-4-8-13-20)27-21-23-14-9-15-24-21/h3-16H,1-2H3,(H,23,24,27)
InChIKeyPZRBHRIDGWXIGJ-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.39
Rot. Bonds5

About N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine

N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine (PubChem CID 5304114) has the molecular formula C22H21N6P and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine
PubChem CID5304114
Molecular FormulaC22H21N6P
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H21N6P/c1-17-16-18(2)26-22(25-17)28-29(19-10-5-3-6-11-19,20-12-7-4-8-13-20)27-21-23-14-9-15-24-21/h3-16H,1-2H3,(H,23,24,27)
InChIKeyPZRBHRIDGWXIGJ-UHFFFAOYSA-N
XLogP4.39
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine (CID 5304114) is N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine is Cc1cc(C)nc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
The InChIKey is PZRBHRIDGWXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N6P/c1-17-16-18(2)26-22(25-17)28-29(19-10-5-3-6-11-19,20-12-7-4-8-13-20)27-21-23-14-9-15-24-21/h3-16H,1-2H3,(H,23,24,27).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine?
N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine has a molecular weight of 400.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)imino-diphenyl-λ5-phosphanyl]pyrimidin-2-amine is sourced from PubChem (CID 5304114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).