2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine

C10H10ClN5O3 — CID 114043254

IUPAC2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)nc(C)c2[N+](=O)[O-])on1
InChIInChI=1S/C10H10ClN5O3/c1-5-3-7(19-15-5)4-12-9-8(16(17)18)6(2)13-10(11)14-9/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeyRJAVKOCXCWZNID-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.26
Rot. Bonds4

About 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine

2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 114043254) has the molecular formula C10H10ClN5O3 and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID114043254
Molecular FormulaC10H10ClN5O3
Molecular Weight283.68 g/mol
Exact Mass283.05
IUPAC Name2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1cc(CNc2nc(Cl)nc(C)c2[N+](=O)[O-])on1
InChIInChI=1S/C10H10ClN5O3/c1-5-3-7(19-15-5)4-12-9-8(16(17)18)6(2)13-10(11)14-9/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeyRJAVKOCXCWZNID-UHFFFAOYSA-N
XLogP2.26
TPSA106.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.26
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

1-ethyl-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitropyrazol-5-amine
CID 66011236
1-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-one
CID 86016058
2-chloro-N-(2-chloroprop-2-enyl)-6-methyl-5-nitropyrimidin-4-amine
CID 106195519
2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
2-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]ethanesulfonamide
CID 114043161
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 48736144
2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitroaniline
CID 60720638
2-chloro-6-methyl-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 114169494
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitroaniline
CID 60720600
6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81438582
2-chloro-6-methyl-5-nitro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine (CID 114043254) is 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine is Cc1cc(CNc2nc(Cl)nc(C)c2[N+](=O)[O-])on1.
What is the InChIKey of 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is RJAVKOCXCWZNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3/c1-5-3-7(19-15-5)4-12-9-8(16(17)18)6(2)13-10(11)14-9/h3H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine?
2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 283.68 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).