4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine

C14H10ClN7O2 — CID 22527942

IUPAC4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C14H10ClN7O2/c15-9-3-4-11(17-6-9)21-14-12(22(23)24)13(18-8-19-14)20-10-2-1-5-16-7-10/h1-8H,(H2,17,18,19,20,21)
InChIKeyBYAOUPYSRVRPGR-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.32
Rot. Bonds5

About 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine

4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine (PubChem CID 22527942) has the molecular formula C14H10ClN7O2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
PubChem CID22527942
Molecular FormulaC14H10ClN7O2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1ccc(Cl)cn1
InChIInChI=1S/C14H10ClN7O2/c15-9-3-4-11(17-6-9)21-14-12(22(23)24)13(18-8-19-14)20-10-2-1-5-16-7-10/h1-8H,(H2,17,18,19,20,21)
InChIKeyBYAOUPYSRVRPGR-UHFFFAOYSA-N
XLogP3.32
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23485493
N-(5-chloro-2-pyridinyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526793
6-N-(5-chloro-2-pyridinyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 23487536
4-N-tert-butyl-6-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23478729
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22531222
6-N-(4-chlorophenyl)-4-N-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22533008
4-N-cyclopentyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528038
6-N-(4-butoxyphenyl)-4-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23495103
4-N-cycloheptyl-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 22528043
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 23487935
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22531273
4-N-(2,4-dimethylphenyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine
CID 23495404

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine (CID 22527942) is 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1ccc(Cl)cn1.
What is the InChIKey of 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
The InChIKey is BYAOUPYSRVRPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN7O2/c15-9-3-4-11(17-6-9)21-14-12(22(23)24)13(18-8-19-14)20-10-2-1-5-16-7-10/h1-8H,(H2,17,18,19,20,21).
What are the key properties of 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine has a molecular weight of 343.73 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-pyridinyl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 22527942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).