6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

C10H11ClN6O2 — CID 114251640

IUPAC6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCC(C)n1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H11ClN6O2/c1-6(2)16-4-3-7(15-16)14-10-8(17(18)19)9(11)12-5-13-10/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyYLDVPKMDMCTLLG-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.56
Rot. Bonds4

About 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114251640) has the molecular formula C10H11ClN6O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114251640
Molecular FormulaC10H11ClN6O2
Molecular Weight282.69 g/mol
Exact Mass282.06
IUPAC Name6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCC(C)n1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H11ClN6O2/c1-6(2)16-4-3-7(15-16)14-10-8(17(18)19)9(11)12-5-13-10/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyYLDVPKMDMCTLLG-UHFFFAOYSA-N
XLogP2.56
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-chloro-5-nitro-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62100522
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
6-chloro-N-(4-methylpentan-2-yl)-5-nitropyrimidin-4-amine
CID 62100858
(2R)-1-[(6-chloro-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 141342242
N-(1-ethylpyrazol-3-yl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 114250765
N-(2-bromophenyl)-6-chloro-5-nitropyrimidin-4-amine
CID 23477333
6-chloro-N-(5-chloro-2-fluorophenyl)-5-nitropyrimidin-4-amine
CID 62101185
6-chloro-N-(4-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 23477343
4-methyl-N-(1-methylpyrazol-3-yl)-3-nitropyridin-2-amine
CID 79778692
6-N-(5-chloro-2-pyridinyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 23487536
6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62101180
2-methylpropyl 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzoate
CID 23477346

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (CID 114251640) is 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is CC(C)n1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])n1.
What is the InChIKey of 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is YLDVPKMDMCTLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2/c1-6(2)16-4-3-7(15-16)14-10-8(17(18)19)9(11)12-5-13-10/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 282.69 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114251640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).