5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine

C10H8ClN5O2 — CID 114111474

IUPAC5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NCc1ccncn1
InChIInChI=1S/C10H8ClN5O2/c11-7-3-9(16(17)18)10(13-4-7)14-5-8-1-2-12-6-15-8/h1-4,6H,5H2,(H,13,14)
InChIKeyBZAYNHBAIPLDLX-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.05
Rot. Bonds4

About 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine

5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine (PubChem CID 114111474) has the molecular formula C10H8ClN5O2 and a molecular weight of 265.66 g/mol. Its IUPAC name is 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
PubChem CID114111474
Molecular FormulaC10H8ClN5O2
Molecular Weight265.66 g/mol
Exact Mass265.04
IUPAC Name5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)cnc1NCc1ccncn1
InChIInChI=1S/C10H8ClN5O2/c11-7-3-9(16(17)18)10(13-4-7)14-5-8-1-2-12-6-15-8/h1-4,6H,5H2,(H,13,14)
InChIKeyBZAYNHBAIPLDLX-UHFFFAOYSA-N
XLogP2.05
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111440
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 86807809
2,4-dimethyl-5-nitro-N-(pyrimidin-4-ylmethyl)aniline
CID 104757482
2-[4-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457934
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103292790
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine (CID 114111474) is 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine is O=[N+]([O-])c1cc(Cl)cnc1NCc1ccncn1.
What is the InChIKey of 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is BZAYNHBAIPLDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O2/c11-7-3-9(16(17)18)10(13-4-7)14-5-8-1-2-12-6-15-8/h1-4,6H,5H2,(H,13,14).
What are the key properties of 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine?
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 265.66 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114111474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).