N-diaminophosphoryl-6-methylpyridin-2-amine

C6H11N4OP — CID 87804040

IUPACN-diaminophosphoryl-6-methylpyridin-2-amine
SMILESCc1cccc(NP(N)(N)=O)n1
InChIInChI=1S/C6H11N4OP/c1-5-3-2-4-6(9-5)10-12(7,8)11/h2-4H,1H3,(H5,7,8,9,10,11)
InChIKeyOXQQURKJMQCMEC-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.83
Rot. Bonds2

About N-diaminophosphoryl-6-methylpyridin-2-amine

N-diaminophosphoryl-6-methylpyridin-2-amine (PubChem CID 87804040) has the molecular formula C6H11N4OP and a molecular weight of 186.16 g/mol. Its IUPAC name is N-diaminophosphoryl-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-diaminophosphoryl-6-methylpyridin-2-amine
PubChem CID87804040
Molecular FormulaC6H11N4OP
Molecular Weight186.16 g/mol
Exact Mass186.07
IUPAC NameN-diaminophosphoryl-6-methylpyridin-2-amine
SMILESCc1cccc(NP(N)(N)=O)n1
InChIInChI=1S/C6H11N4OP/c1-5-3-2-4-6(9-5)10-12(7,8)11/h2-4H,1H3,(H5,7,8,9,10,11)
InChIKeyOXQQURKJMQCMEC-UHFFFAOYSA-N
XLogP0.83
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-diphenylphosphoryl-6-methylpyridin-2-amine
CID 832984
N-iodo-6-methylpyridin-2-amine
CID 134375052
6-methyl-N-methylsulfanylpyridin-2-amine
CID 129181799
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
1-N-(6-methyl-2-pyridinyl)cyclopropane-1,2-diamine
CID 60875096
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799748
2,6-dimethylpyridine;ethane
CID 54453947

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-6-methylpyridin-2-amine?
The IUPAC name of N-diaminophosphoryl-6-methylpyridin-2-amine (CID 87804040) is N-diaminophosphoryl-6-methylpyridin-2-amine.
What is the SMILES notation for N-diaminophosphoryl-6-methylpyridin-2-amine?
The canonical SMILES for N-diaminophosphoryl-6-methylpyridin-2-amine is Cc1cccc(NP(N)(N)=O)n1.
What is the InChIKey of N-diaminophosphoryl-6-methylpyridin-2-amine?
The InChIKey is OXQQURKJMQCMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N4OP/c1-5-3-2-4-6(9-5)10-12(7,8)11/h2-4H,1H3,(H5,7,8,9,10,11).
What are the key properties of N-diaminophosphoryl-6-methylpyridin-2-amine?
N-diaminophosphoryl-6-methylpyridin-2-amine has a molecular weight of 186.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-6-methylpyridin-2-amine is sourced from PubChem (CID 87804040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).